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Benzene and substituted derivatives

Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Trifluoromethylbenzenes (1,586)
Hydroxybenzoic Acid Derivatives (1,341)
Benzyl Derivatives (1,217)
Fluorobenzenes (984)
Benzoyl derivatives (632)
Phenylmethylamines (569)
Bromobenzenes (525)
Phenylphosphines and derivatives (448)
Methoxybenzenes (417)
Benzenesulfonamides (374)
Phenoxy compounds (356)
Phenylpropanes (338)
Nitrobenzoic acids and derivatives (319)
Iodobenzenes (301)
Aniline and substituted anilines (271)
Diphenylmethanes (239)
Benzophenones (223)
Styrenes (222)
Methoxybenzoic acids and derivatives (193)
Nitrobenzenes (188)
Diphenylethers (180)
Aminobenzoic acids and derivatives (174)
Aminotoluenes (170)
Phenylhydrazines (150)
Nitrotoluenes (147)
Sulfanilides (122)
Benzenesulfonyl compounds (119)
Benzoic acid esters (112)
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Phthalic acid and derivatives (59)
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N-phenylureas (34)
Acylaminobenzoic acid and derivatives (31)
Tosyl compounds (28)
Phenylacetaldehydes (24)
Acetophenones (23)
Phenylacetamides (19)
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Phenylpropenes (16)
Phenylpropylamines (10)
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Phenylpyruvic acid derivatives (8)
Biphenols (6)
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Butyrophenones (5)
Cyclohexylphenols (5)
Alkyldimethylbenzylammonium halides (4)
Toluene diisocyanates (4)
3-phenoxypropionic acids (3)
Benzoyl peroxides (3)
Peroxybenzoic acids and derivatives (3)
1 2-Dihalobenzenes (2)
2-phenoxypropionic acids (2)
Phenylbutylamines (2)
Thiobenzoic acids and derivatives (2)

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1 – 15 of 5,848 results
1

4-Aminobenzoic acid, 99%, Thermo Scientific Chemicals

CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O

EDGE
PubChem CID 978
CAS 150-13-0
Molecular Weight (g/mol) 137.14
ChEBI CHEBI:30753
MDL Number MFCD00007894
SMILES NC1=CC=C(C=C1)C(O)=O
Synonym p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino
IUPAC Name 4-aminobenzoic acid
InChI Key ALYNCZNDIQEVRV-UHFFFAOYSA-N
Molecular Formula C7H7NO2
2

Sodium Salicylate, 99%, Thermo Scientific Chemicals

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

EDGE
PubChem CID 16760658
CAS 54-21-7
Molecular Weight (g/mol) 160.104
ChEBI CHEBI:9180
MDL Number MFCD00002440
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name sodium;2-hydroxybenzoate
InChI Key ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula C7H5NaO3
3

p-Toluenesulfonyl chloride, 98%, Thermo Scientific Chemicals

CAS: 98-59-9 Molecular Formula: C7H7ClO2S Molecular Weight (g/mol): 190.64 MDL Number: MFCD00007450 InChI Key: YYROPELSRYBVMQ-UHFFFAOYSA-N Synonym: tosyl chloride,p-toluenesulfonyl chloride,p-tosyl chloride,4-toluenesulfonyl chloride,p-toluenesulfochloride,4-methylbenzene-1-sulfonyl chloride,p-tolylsulfonyl chloride,p-toluenesulphonyl chloride,tosylchloride,p-toluenesulfonic acid chloride PubChem CID: 7397 IUPAC Name: 4-methylbenzenesulfonyl chloride SMILES: CC1=CC=C(C=C1)S(Cl)(=O)=O

PubChem CID 7397
CAS 98-59-9
Molecular Weight (g/mol) 190.64
MDL Number MFCD00007450
SMILES CC1=CC=C(C=C1)S(Cl)(=O)=O
Synonym tosyl chloride,p-toluenesulfonyl chloride,p-tosyl chloride,4-toluenesulfonyl chloride,p-toluenesulfochloride,4-methylbenzene-1-sulfonyl chloride,p-tolylsulfonyl chloride,p-toluenesulphonyl chloride,tosylchloride,p-toluenesulfonic acid chloride
IUPAC Name 4-methylbenzenesulfonyl chloride
InChI Key YYROPELSRYBVMQ-UHFFFAOYSA-N
Molecular Formula C7H7ClO2S
4

2,6-Di-tert-butyl-4-methylphenol, 99%, Thermo Scientific Chemicals

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

PubChem CID 31404
CAS 128-37-0
Molecular Weight (g/mol) 220.356
ChEBI CHEBI:34247
MDL Number MFCD00011644
SMILES CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Synonym 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht
IUPAC Name 2,6-ditert-butyl-4-methylphenol
InChI Key NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula C15H24O
5

alpha-Methylstyrene, 99%, stab. with 10-20 ppm 4-tert-butylcatechol, Thermo Scientific Chemicals

CAS: 98-83-9 Molecular Formula: C9H10 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00008859 InChI Key: XYLMUPLGERFSHI-UHFFFAOYSA-N Synonym: alpha-methylstyrene,2-phenylpropene,2-phenyl-1-propene,isopropenylbenzene,benzene, 1-methylethenyl,2-phenylpropylene,1-methyl-1-phenylethylene,alpha-methylstyrol,as-methylphenylethylene,1-phenyl-1-methylethylene PubChem CID: 7407 ChEBI: CHEBI:35060 IUPAC Name: prop-1-en-2-ylbenzene SMILES: CC(=C)C1=CC=CC=C1

PubChem CID 7407
CAS 98-83-9
Molecular Weight (g/mol) 118.18
ChEBI CHEBI:35060
MDL Number MFCD00008859
SMILES CC(=C)C1=CC=CC=C1
Synonym alpha-methylstyrene,2-phenylpropene,2-phenyl-1-propene,isopropenylbenzene,benzene, 1-methylethenyl,2-phenylpropylene,1-methyl-1-phenylethylene,alpha-methylstyrol,as-methylphenylethylene,1-phenyl-1-methylethylene
IUPAC Name prop-1-en-2-ylbenzene
InChI Key XYLMUPLGERFSHI-UHFFFAOYSA-N
Molecular Formula C9H10
6

1,5-Diphenylcarbazide, ACS, Thermo Scientific Chemicals

CAS: 140-22-7 Molecular Formula: C13H14N4O Molecular Weight (g/mol): 242.282 MDL Number: MFCD00003013 InChI Key: KSPIHGBHKVISFI-UHFFFAOYSA-N Synonym: 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl PubChem CID: 8789 ChEBI: CHEBI:4641 IUPAC Name: 1,3-dianilinourea SMILES: C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2

PubChem CID 8789
CAS 140-22-7
Molecular Weight (g/mol) 242.282
ChEBI CHEBI:4641
MDL Number MFCD00003013
SMILES C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2
Synonym 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl
IUPAC Name 1,3-dianilinourea
InChI Key KSPIHGBHKVISFI-UHFFFAOYSA-N
Molecular Formula C13H14N4O
7

Phenylacetaldehyde, 95%, Thermo Scientific Chemicals

CAS: 122-78-1 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00006993 InChI Key: DTUQWGWMVIHBKE-UHFFFAOYSA-N Synonym: phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde PubChem CID: 998 ChEBI: CHEBI:16424 IUPAC Name: 2-phenylacetaldehyde SMILES: O=CCC1=CC=CC=C1

PubChem CID 998
CAS 122-78-1
Molecular Weight (g/mol) 120.15
ChEBI CHEBI:16424
MDL Number MFCD00006993
SMILES O=CCC1=CC=CC=C1
Synonym phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde
IUPAC Name 2-phenylacetaldehyde
InChI Key DTUQWGWMVIHBKE-UHFFFAOYSA-N
Molecular Formula C8H8O
8

Dibenzoyl peroxide, 97% (dry wt.), wet with 25% water, Thermo Scientific Chemicals

CAS: 94-36-0 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00003071 InChI Key: OMPJBNCRMGITSC-UHFFFAOYSA-N Synonym: benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide PubChem CID: 7187 ChEBI: CHEBI:82405 IUPAC Name: benzoyl benzenecarboperoxoate SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

PubChem CID 7187
CAS 94-36-0
Molecular Weight (g/mol) 242.23
ChEBI CHEBI:82405
MDL Number MFCD00003071
SMILES C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
Synonym benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide
IUPAC Name benzoyl benzenecarboperoxoate
InChI Key OMPJBNCRMGITSC-UHFFFAOYSA-N
Molecular Formula C14H10O4
10

alpha,alpha-Dimethylphenylacetic acid, Thermo Scientific Chemicals

CAS: 826-55-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00014332 InChI Key: YYEROYLAYAVZNW-UHFFFAOYSA-N Synonym: 2-methyl-2-phenylpropionic acid,2-phenylisobutyric acid,alpha,alpha-dimethylphenylacetic acid,unii-dr8huh2gyk,dimethylphenylacetic acid,dr8huh2gyk,2-methyl-2-phenyl-propionic acid,hydratropic acid, .alpha.-methyl,benzeneacetic acid,.alpha.-dimethyl,propionic acid, 2-methyl-2-phenyl PubChem CID: 13222 IUPAC Name: 2-methyl-2-phenylpropanoic acid SMILES: CC(C)(C(O)=O)C1=CC=CC=C1

PubChem CID 13222
CAS 826-55-1
Molecular Weight (g/mol) 164.20
MDL Number MFCD00014332
SMILES CC(C)(C(O)=O)C1=CC=CC=C1
Synonym 2-methyl-2-phenylpropionic acid,2-phenylisobutyric acid,alpha,alpha-dimethylphenylacetic acid,unii-dr8huh2gyk,dimethylphenylacetic acid,dr8huh2gyk,2-methyl-2-phenyl-propionic acid,hydratropic acid, .alpha.-methyl,benzeneacetic acid,.alpha.-dimethyl,propionic acid, 2-methyl-2-phenyl
IUPAC Name 2-methyl-2-phenylpropanoic acid
InChI Key YYEROYLAYAVZNW-UHFFFAOYSA-N
Molecular Formula C10H12O2
11

alpha,alpha-Dimethylbenzylamine, 96%, Thermo Scientific Chemicals

CAS: 585-32-0 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00134680 InChI Key: KDFDOINBXBEOLZ-UHFFFAOYSA-N Synonym: cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine PubChem CID: 68509 IUPAC Name: 2-phenylpropan-2-amine SMILES: CC(C)(N)C1=CC=CC=C1

PubChem CID 68509
CAS 585-32-0
Molecular Weight (g/mol) 135.21
MDL Number MFCD00134680
SMILES CC(C)(N)C1=CC=CC=C1
Synonym cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine
IUPAC Name 2-phenylpropan-2-amine
InChI Key KDFDOINBXBEOLZ-UHFFFAOYSA-N
Molecular Formula C9H13N
12

Dithizone, 98%, Thermo Scientific Chemicals

CAS: 60-10-6 Molecular Formula: C13H12N4S Molecular Weight (g/mol): 256.33 MDL Number: MFCD00003025 InChI Key: UOFGSWVZMUXXIY-UHFFFAOYSA-N Synonym: dithizone,dithizon,ditizon,carbazone, diphenylthio,usaf ek-3092,diazenecarbothioic acid, phenyl-, 2-phenylhydrazide,1,5-diphenyl-3-mercaptoformazan,3-formazanthiol, 1,5-diphenyl,unii-njz2cj4d6p,1,5-diphenyl-3-thiocarbazone PubChem CID: 657262 SMILES: S=C(NNC1=CC=CC=C1)N=NC1=CC=CC=C1

PubChem CID 657262
CAS 60-10-6
Molecular Weight (g/mol) 256.33
MDL Number MFCD00003025
SMILES S=C(NNC1=CC=CC=C1)N=NC1=CC=CC=C1
Synonym dithizone,dithizon,ditizon,carbazone, diphenylthio,usaf ek-3092,diazenecarbothioic acid, phenyl-, 2-phenylhydrazide,1,5-diphenyl-3-mercaptoformazan,3-formazanthiol, 1,5-diphenyl,unii-njz2cj4d6p,1,5-diphenyl-3-thiocarbazone
InChI Key UOFGSWVZMUXXIY-UHFFFAOYSA-N
Molecular Formula C13H12N4S
13

alpha,alpha-Dichlorodiphenylmethane, 97%, Thermo Scientific Chemicals

CAS: 2051-90-3 Molecular Formula: C13H10Cl2 Molecular Weight (g/mol): 237.123 MDL Number: MFCD00000811 InChI Key: OPTDDWCXQQYKGU-UHFFFAOYSA-N Synonym: dichlorodiphenylmethane,diphenyldichloromethane,dpm halocarbon,benzophenone dichloride,alpha,alpha-dichlorodiphenylmethane,benzene, 1,1'-dichloromethylene bis,methane, dichlorodiphenyl,dichlorodiphenyl methane,dichloro phenyl methyl benzene,unii-81fez29ak6 PubChem CID: 16327 IUPAC Name: [dichloro(phenyl)methyl]benzene SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(Cl)Cl

PubChem CID 16327
CAS 2051-90-3
Molecular Weight (g/mol) 237.123
MDL Number MFCD00000811
SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)(Cl)Cl
Synonym dichlorodiphenylmethane,diphenyldichloromethane,dpm halocarbon,benzophenone dichloride,alpha,alpha-dichlorodiphenylmethane,benzene, 1,1'-dichloromethylene bis,methane, dichlorodiphenyl,dichlorodiphenyl methane,dichloro phenyl methyl benzene,unii-81fez29ak6
IUPAC Name [dichloro(phenyl)methyl]benzene
InChI Key OPTDDWCXQQYKGU-UHFFFAOYSA-N
Molecular Formula C13H10Cl2
14

4-Methoxybenzaldehyde, 98%, Thermo Scientific Chemicals

CAS: 123-11-5 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Synonym: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O

PubChem CID 31244
CAS 123-11-5
Molecular Weight (g/mol) 136.15
ChEBI CHEBI:28235
MDL Number MFCD00003385
SMILES COC1=CC=C(C=C1)C=O
Synonym p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine
IUPAC Name 4-methoxybenzaldehyde
InChI Key ZRSNZINYAWTAHE-UHFFFAOYSA-N
Molecular Formula C8H8O2
15

(+/-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetonitrile, 98%, Thermo Scientific™

CAS: 80866-87-1 Molecular Formula: C10H8F3NO Molecular Weight (g/mol): 215.175 MDL Number: MFCD00001844 InChI Key: UBOJBAYKXZRZHI-UHFFFAOYSA-N Synonym: 2-methoxy-2-phenyl-3,3,3-trifluoropropionitrile,alpha-methoxy-alpha-trifluoromethyl phenylacetonitrile,methoxyphenyl trifluoromethyl acetonitrile,acmc-1bl9n,-a-methoxy-a-trifluoromethylphenylacetonitrile,+/--a-methoxy-a-trifluoromethylphenylacetonitrile,#,+/--2-methoxy-2-trifluoromethyl phenylacetonitrile,+\--2-methoxy-2-phenyl-3,3,3-trifluoropropionitrile,alpha-trifluoromethyl-alpha-methoxybenzeneacetonitrile PubChem CID: 589652 IUPAC Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile SMILES: COC(C#N)(C1=CC=CC=C1)C(F)(F)F

PubChem CID 589652
CAS 80866-87-1
Molecular Weight (g/mol) 215.175
MDL Number MFCD00001844
SMILES COC(C#N)(C1=CC=CC=C1)C(F)(F)F
Synonym 2-methoxy-2-phenyl-3,3,3-trifluoropropionitrile,alpha-methoxy-alpha-trifluoromethyl phenylacetonitrile,methoxyphenyl trifluoromethyl acetonitrile,acmc-1bl9n,-a-methoxy-a-trifluoromethylphenylacetonitrile,+/--a-methoxy-a-trifluoromethylphenylacetonitrile,#,+/--2-methoxy-2-trifluoromethyl phenylacetonitrile,+\--2-methoxy-2-phenyl-3,3,3-trifluoropropionitrile,alpha-trifluoromethyl-alpha-methoxybenzeneacetonitrile
IUPAC Name 3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile
InChI Key UBOJBAYKXZRZHI-UHFFFAOYSA-N
Molecular Formula C10H8F3NO