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Nitrobenzoic acids and derivatives

Nitrobenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. Includes compounds that are directly derived from nitrobenzoic acid.
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1 – 15 of 55 results
1

4-Bromomethyl-3-nitrobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 55715-03-2 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD00216575 InChI Key: QMAHVAFURJBOFV-UHFFFAOYSA-N Synonym: 4-bromomethyl-3-nitrobenzoic acid,4-bromomethyl-3-nitrobenzoicacid,benzoic acid, 4-bromomethyl-3-nitro,3-nitro-4-bromomethylbenzoic acid,bnba,acmc-1auor,ksc495i9f,3-nitro-4-bromomethyl benzoic acid,4-bromomethyl-3-nitro benzoic acid PubChem CID: 132386 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr

PubChem CID 132386
CAS 55715-03-2
Molecular Weight (g/mol) 260.043
MDL Number MFCD00216575
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr
Synonym 4-bromomethyl-3-nitrobenzoic acid,4-bromomethyl-3-nitrobenzoicacid,benzoic acid, 4-bromomethyl-3-nitro,3-nitro-4-bromomethylbenzoic acid,bnba,acmc-1auor,ksc495i9f,3-nitro-4-bromomethyl benzoic acid,4-bromomethyl-3-nitro benzoic acid
InChI Key QMAHVAFURJBOFV-UHFFFAOYSA-N
Molecular Formula C8H6BrNO4
2

Ethyl 3-methyl-4-nitrobenzoate, 98%, Thermo Scientific™

CAS: 30650-90-9 Molecular Formula: C10H11NO4 Molecular Weight (g/mol): 209.20 MDL Number: MFCD00115804 InChI Key: OAXJZQMFWBIRKF-UHFFFAOYSA-N PubChem CID: 2796918 IUPAC Name: ethyl 3-methyl-4-nitrobenzoate SMILES: CCOC(=O)C1=CC=C(C(C)=C1)[N+]([O-])=O

PubChem CID 2796918
CAS 30650-90-9
Molecular Weight (g/mol) 209.20
MDL Number MFCD00115804
SMILES CCOC(=O)C1=CC=C(C(C)=C1)[N+]([O-])=O
IUPAC Name ethyl 3-methyl-4-nitrobenzoate
InChI Key OAXJZQMFWBIRKF-UHFFFAOYSA-N
Molecular Formula C10H11NO4
3

Methyl 4-nitrobenzoate, 99%, Thermo Scientific Chemicals

CAS: 619-50-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007350 InChI Key: YOJAHJGBFDPSDI-UHFFFAOYSA-N Synonym: methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester PubChem CID: 12083 IUPAC Name: methyl 4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

PubChem CID 12083
CAS 619-50-1
Molecular Weight (g/mol) 181.147
MDL Number MFCD00007350
SMILES COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Synonym methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester
IUPAC Name methyl 4-nitrobenzoate
InChI Key YOJAHJGBFDPSDI-UHFFFAOYSA-N
Molecular Formula C8H7NO4
4

3-Fluoro-2-nitrobenzoic acid, 98%, Thermo Scientific™

CAS: 1000339-51-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD07368342 InChI Key: DTGONJAUUOWYGB-UHFFFAOYSA-N Synonym: 3-fluoro-2-nitrobenzoic acid,3-fluoro-2-nitrobenzoicacid,2-carboxy-6-fluoronitrobenzene,pubchem4756,c7h4no4f,ksc498i1d,3-fluoro-2-nitro-benzoic acid PubChem CID: 18915920 SMILES: C1=CC(=C(C(=C1)F)[N+](=O)[O-])C(=O)O

PubChem CID 18915920
CAS 1000339-51-4
Molecular Weight (g/mol) 185.11
MDL Number MFCD07368342
SMILES C1=CC(=C(C(=C1)F)[N+](=O)[O-])C(=O)O
Synonym 3-fluoro-2-nitrobenzoic acid,3-fluoro-2-nitrobenzoicacid,2-carboxy-6-fluoronitrobenzene,pubchem4756,c7h4no4f,ksc498i1d,3-fluoro-2-nitro-benzoic acid
InChI Key DTGONJAUUOWYGB-UHFFFAOYSA-N
Molecular Formula C7H4FNO4
5

2-Bromo-3-nitrobenzoic acid, tech. 90%, Thermo Scientific Chemicals

CAS: 573-54-6 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00074899 InChI Key: WTDJEGSXLFHZPY-UHFFFAOYSA-N Synonym: 2-bromo-3-nitrobenzoic acid,benzoic acid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoicacid,2-bromo-3-nitro-benzoic acid,pubchem4714,acmc-1an8y,ksc273m5t,benzoicacid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoic acid, technical grade PubChem CID: 68452 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)O

PubChem CID 68452
CAS 573-54-6
Molecular Weight (g/mol) 246.016
MDL Number MFCD00074899
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)O
Synonym 2-bromo-3-nitrobenzoic acid,benzoic acid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoicacid,2-bromo-3-nitro-benzoic acid,pubchem4714,acmc-1an8y,ksc273m5t,benzoicacid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoic acid, technical grade
InChI Key WTDJEGSXLFHZPY-UHFFFAOYSA-N
Molecular Formula C7H4BrNO4
6

Ethyl 3,5-dinitrobenzoate, 98%, Thermo Scientific™

CAS: 618-71-3 Molecular Formula: C9H8N2O6 Molecular Weight (g/mol): 240.17 MDL Number: MFCD00007232 InChI Key: IBQREHJPMPCXQA-UHFFFAOYSA-N PubChem CID: 69255 IUPAC Name: ethyl 3,5-dinitrobenzoate SMILES: CCOC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

PubChem CID 69255
CAS 618-71-3
Molecular Weight (g/mol) 240.17
MDL Number MFCD00007232
SMILES CCOC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
IUPAC Name ethyl 3,5-dinitrobenzoate
InChI Key IBQREHJPMPCXQA-UHFFFAOYSA-N
Molecular Formula C9H8N2O6
7

2,4-Difluoro-5-nitrobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 153775-33-8 Molecular Formula: C7H2F2NO4 Molecular Weight (g/mol): 202.09 MDL Number: MFCD04115713 InChI Key: MDFSGDMPHMKKGB-UHFFFAOYSA-M PubChem CID: 2782822 IUPAC Name: 2,4-difluoro-5-nitrobenzoate SMILES: [O-]C(=O)C1=CC(=C(F)C=C1F)[N+]([O-])=O

PubChem CID 2782822
CAS 153775-33-8
Molecular Weight (g/mol) 202.09
MDL Number MFCD04115713
SMILES [O-]C(=O)C1=CC(=C(F)C=C1F)[N+]([O-])=O
IUPAC Name 2,4-difluoro-5-nitrobenzoate
InChI Key MDFSGDMPHMKKGB-UHFFFAOYSA-M
Molecular Formula C7H2F2NO4
8

2-Amino-4-nitrobenzoic acid, ≥97%, Thermo Scientific Chemicals

CAS: 619-17-0 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00007262 InChI Key: UEALKTCRMBVTFN-UHFFFAOYSA-N Synonym: 2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891 PubChem CID: 12076 ChEBI: CHEBI:75335 IUPAC Name: 2-amino-4-nitrobenzoic acid SMILES: NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O

PubChem CID 12076
CAS 619-17-0
Molecular Weight (g/mol) 182.14
ChEBI CHEBI:75335
MDL Number MFCD00007262
SMILES NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O
Synonym 2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891
IUPAC Name 2-amino-4-nitrobenzoic acid
InChI Key UEALKTCRMBVTFN-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
9

4-Chloro-3-nitrobenzoic acid, 99%, Thermo Scientific Chemicals

CAS: 96-99-1 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007079 InChI Key: DFXQXFGFOLXAPO-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrobenzoic acid,3-nitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3-nitro,kyselina 4-chloro-3-nitrobenzoova,unii-0mlz915q9k,ccris 3126,kyselina 4-chloro-3-nitrobenzoova czech,4-chloro-3-nitrobenzoic acic,4-chloro-3-nitro-benzoic acid,5-carboxy-2-chloronitrobenzene PubChem CID: 7320 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl

PubChem CID 7320
CAS 96-99-1
Molecular Weight (g/mol) 201.562
MDL Number MFCD00007079
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl
Synonym 4-chloro-3-nitrobenzoic acid,3-nitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3-nitro,kyselina 4-chloro-3-nitrobenzoova,unii-0mlz915q9k,ccris 3126,kyselina 4-chloro-3-nitrobenzoova czech,4-chloro-3-nitrobenzoic acic,4-chloro-3-nitro-benzoic acid,5-carboxy-2-chloronitrobenzene
InChI Key DFXQXFGFOLXAPO-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
10

2-Amino-5-nitrobenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 616-79-5 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00017039 InChI Key: RUCHWTKMOWXHLU-UHFFFAOYSA-N Synonym: 5-nitroanthranilic acid,benzoic acid, 2-amino-5-nitro,2-amino-5-nitro-benzoic acid,2-amino-5-nitrobenzoicacid,anthranilic acid, 5-nitro,1-amino-2-carboxy-4-nitrobenzene,2-amino-5-nitro-benzoicacid,pubchem14422,acmc-209mvd,5-nitro anthranilic acid PubChem CID: 12032 ChEBI: CHEBI:61280 IUPAC Name: 2-amino-5-nitrobenzoic acid SMILES: NC1=CC=C(C=C1C(O)=O)[N+]([O-])=O

PubChem CID 12032
CAS 616-79-5
Molecular Weight (g/mol) 182.14
ChEBI CHEBI:61280
MDL Number MFCD00017039
SMILES NC1=CC=C(C=C1C(O)=O)[N+]([O-])=O
Synonym 5-nitroanthranilic acid,benzoic acid, 2-amino-5-nitro,2-amino-5-nitro-benzoic acid,2-amino-5-nitrobenzoicacid,anthranilic acid, 5-nitro,1-amino-2-carboxy-4-nitrobenzene,2-amino-5-nitro-benzoicacid,pubchem14422,acmc-209mvd,5-nitro anthranilic acid
IUPAC Name 2-amino-5-nitrobenzoic acid
InChI Key RUCHWTKMOWXHLU-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
11

Methyl 4-methyl-3-nitrobenzoate, 99%, Thermo Scientific™

CAS: 7356-11-8 MDL Number: MFCD00130054

CAS 7356-11-8
MDL Number MFCD00130054
12

4-Chloro-2-fluoro-5-nitrobenzoic acid, 98%, Thermo Scientific™

CAS: 35112-05-1 Molecular Formula: C7H3ClFNO4 Molecular Weight (g/mol): 219.552 MDL Number: MFCD04115725 InChI Key: KAONECPATVTFST-UHFFFAOYSA-N Synonym: 4-chloro-2-fluoro-5-nitrobenzoic acid,4-chloro-2-fluoro-5-nitrobenzoicacid,4-chloro-2-fluoro-5-nitro-benzoic acid,2-fluoro-4-chloro-5-nitrobenzoic acid,benzoic acid, 4-chloro-2-fluoro-5-nitro,pubchem22286,acmc-1ah9o,ksc573m6p,5-carboxy-2-chloro-4-fluoronitrobenzene PubChem CID: 3774553 SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])Cl)F)C(=O)O

PubChem CID 3774553
CAS 35112-05-1
Molecular Weight (g/mol) 219.552
MDL Number MFCD04115725
SMILES C1=C(C(=CC(=C1[N+](=O)[O-])Cl)F)C(=O)O
Synonym 4-chloro-2-fluoro-5-nitrobenzoic acid,4-chloro-2-fluoro-5-nitrobenzoicacid,4-chloro-2-fluoro-5-nitro-benzoic acid,2-fluoro-4-chloro-5-nitrobenzoic acid,benzoic acid, 4-chloro-2-fluoro-5-nitro,pubchem22286,acmc-1ah9o,ksc573m6p,5-carboxy-2-chloro-4-fluoronitrobenzene
InChI Key KAONECPATVTFST-UHFFFAOYSA-N
Molecular Formula C7H3ClFNO4
13

3-Fluoro-5-nitrobenzoic acid, 97%, Thermo Scientific™

CAS: 14027-75-9 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD05864360 InChI Key: VIPUIECMSDQUIK-UHFFFAOYSA-N Synonym: 3-fluoro-5-nitrobenzoic acid,benzoic acid, 3-fluoro-5-nitro,5-fluoro-3-nitrobenzoic acid,pubchem1400,intermediates-zcf02073,spec-inf-bb s2256 PubChem CID: 2759047 SMILES: C1=C(C=C(C=C1[N+](=O)[O-])F)C(=O)O

PubChem CID 2759047
CAS 14027-75-9
Molecular Weight (g/mol) 185.11
MDL Number MFCD05864360
SMILES C1=C(C=C(C=C1[N+](=O)[O-])F)C(=O)O
Synonym 3-fluoro-5-nitrobenzoic acid,benzoic acid, 3-fluoro-5-nitro,5-fluoro-3-nitrobenzoic acid,pubchem1400,intermediates-zcf02073,spec-inf-bb s2256
InChI Key VIPUIECMSDQUIK-UHFFFAOYSA-N
Molecular Formula C7H4FNO4
14

3-Carboxy-5-nitrobenzeneboronic acid pinacol ester, 97%, Thermo Scientific™

CAS: 377780-80-8 Molecular Formula: C13H16BNO6 Molecular Weight (g/mol): 293.082 MDL Number: MFCD03411932 InChI Key: OYMDMSRXMZRHPB-UHFFFAOYSA-N Synonym: 3-nitro-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid,3-carboxy-5-nitrophenylboronic acid, pinacol ester,3-carboxy-5-nitrophenylboronic acid pinacol ester,3-carboxy-5-nitrophenyl boronic acid pinacol ester,benzoic acid, 3-nitro-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-carboxy-5-nitrobenzeneboronic acid pinacol ester,3-nitro-5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid,benzoicacid, 3-nitro-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-carboxy-5-nitrophenyl boronic acid,pinacol ester,3-carboxy-5-nitrophenyl boronic acid, pinacol ester PubChem CID: 3415168 IUPAC Name: 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O

PubChem CID 3415168
CAS 377780-80-8
Molecular Weight (g/mol) 293.082
MDL Number MFCD03411932
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O
Synonym 3-nitro-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid,3-carboxy-5-nitrophenylboronic acid, pinacol ester,3-carboxy-5-nitrophenylboronic acid pinacol ester,3-carboxy-5-nitrophenyl boronic acid pinacol ester,benzoic acid, 3-nitro-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-carboxy-5-nitrobenzeneboronic acid pinacol ester,3-nitro-5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid,benzoicacid, 3-nitro-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-carboxy-5-nitrophenyl boronic acid,pinacol ester,3-carboxy-5-nitrophenyl boronic acid, pinacol ester
IUPAC Name 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI Key OYMDMSRXMZRHPB-UHFFFAOYSA-N
Molecular Formula C13H16BNO6
15

Methyl 4-amino-3-bromo-5-nitrobenzoate, 97%, Thermo Scientific Chemicals

CAS: 105655-17-2 Molecular Formula: C8H7BrN2O4 Molecular Weight (g/mol): 275.058 MDL Number: MFCD08443938 InChI Key: PRTLMEWWYBJZPN-UHFFFAOYSA-N Synonym: methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-bromo-5-nitro-, methyl ester,acmc-20aq1i,methylaminobromonitrobenzenecarboxylate,3-nitro-4-amino-5-bromobenzoic acid methyl ester,benzoicacid,4-amino-3-bromo-5-nitro-,methylester,4-amino-3-bromo-5-nitro-benzoic acid methyl ester PubChem CID: 13685347 IUPAC Name: methyl 4-amino-3-bromo-5-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-]

PubChem CID 13685347
CAS 105655-17-2
Molecular Weight (g/mol) 275.058
MDL Number MFCD08443938
SMILES COC(=O)C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-]
Synonym methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-bromo-5-nitro-, methyl ester,acmc-20aq1i,methylaminobromonitrobenzenecarboxylate,3-nitro-4-amino-5-bromobenzoic acid methyl ester,benzoicacid,4-amino-3-bromo-5-nitro-,methylester,4-amino-3-bromo-5-nitro-benzoic acid methyl ester
IUPAC Name methyl 4-amino-3-bromo-5-nitrobenzoate
InChI Key PRTLMEWWYBJZPN-UHFFFAOYSA-N
Molecular Formula C8H7BrN2O4