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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

Methyl 4-nitrobenzoate, 99%

CAS: 619-50-1 Formule moléculaire: C8H7NO4 Poids moléculaire (g/mol): 181.147 Numéro MDL: MFCD00007350 Clé InChI: YOJAHJGBFDPSDI-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 12083 Nom IUPAC: methyl 4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Poids moléculaire (g/mol) 181.147
Synonyme 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
Numéro MDL MFCD00007350
CAS 619-50-1
CID PubChem 12083
Nom IUPAC methyl 4-nitrobenzoate
Clé InChI YOJAHJGBFDPSDI-UHFFFAOYSA-N
SMILES COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Formule moléculaire C8H7NO4
2

Ethyl 4-hydroxy-3-nitrobenzoate, 98%

CAS: 19013-10-6 Formule moléculaire: C9H9NO5 Poids moléculaire (g/mol): 211.173 Numéro MDL: MFCD00016999 Clé InChI: FBHJNBWUGONVNS-UHFFFAOYSA-N Synonyme: benzoic acid, 4-hydroxy-3-nitro-, ethyl ester,4-hydroxy-3-nitrobenzoic acid ethyl ester,acmc-20akyj,ethyl4-hydroxy-3-nitrobenzoate,ethyl 3-nitro-4-hydroxybenzoate,ethyl 4-hydroxy-3-nitro benzoate,3-nitro-4-hydroxybenzoic acid ethyl ester,4-hydroxy-3-nitro-benzoic acid ethyl ester CID PubChem: 87895 Nom IUPAC: ethyl 4-hydroxy-3-nitrobenzoate SMILES: CCOC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-]

Poids moléculaire (g/mol) 211.173
Synonyme benzoic acid, 4-hydroxy-3-nitro-, ethyl ester,4-hydroxy-3-nitrobenzoic acid ethyl ester,acmc-20akyj,ethyl4-hydroxy-3-nitrobenzoate,ethyl 3-nitro-4-hydroxybenzoate,ethyl 4-hydroxy-3-nitro benzoate,3-nitro-4-hydroxybenzoic acid ethyl ester,4-hydroxy-3-nitro-benzoic acid ethyl ester
Numéro MDL MFCD00016999
CAS 19013-10-6
CID PubChem 87895
Nom IUPAC ethyl 4-hydroxy-3-nitrobenzoate
Clé InChI FBHJNBWUGONVNS-UHFFFAOYSA-N
SMILES CCOC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-]
Formule moléculaire C9H9NO5
3

4-Nitro-2-(trifluoromethyl)benzoic acid, 97%

CAS: 320-37-6 Formule moléculaire: C8H4F3NO4 Poids moléculaire (g/mol): 235.12 Numéro MDL: MFCD04039246 Clé InChI: BPCKZQCTLCTDST-UHFFFAOYSA-N Synonyme: 4-nitro-2-trifluoromethyl benzoic acid,2-carboxy-5-nitrobenzotrifluoride,4-nitro-2-trifluoromethyl-benzoic acid,4-nitro-2-trifluoromethylbenzoic acid,benzoic acid, 4-nitro-2-trifluoromethyl,4-nitro-2-trifluoromethyl benzoic acid,pubchem1342,ksc496i1p,rarechem al bo 1444,2-trifluoromethyl-4-nitrobenzoic acid CID PubChem: 2782737 Nom IUPAC: 4-nitro-2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=C(C=C(C=C1)[N+]([O-])=O)C(F)(F)F

Poids moléculaire (g/mol) 235.12
Synonyme 4-nitro-2-trifluoromethyl benzoic acid,2-carboxy-5-nitrobenzotrifluoride,4-nitro-2-trifluoromethyl-benzoic acid,4-nitro-2-trifluoromethylbenzoic acid,benzoic acid, 4-nitro-2-trifluoromethyl,4-nitro-2-trifluoromethyl benzoic acid,pubchem1342,ksc496i1p,rarechem al bo 1444,2-trifluoromethyl-4-nitrobenzoic acid
Numéro MDL MFCD04039246
CAS 320-37-6
CID PubChem 2782737
Nom IUPAC 4-nitro-2-(trifluoromethyl)benzoic acid
Clé InChI BPCKZQCTLCTDST-UHFFFAOYSA-N
SMILES OC(=O)C1=C(C=C(C=C1)[N+]([O-])=O)C(F)(F)F
Formule moléculaire C8H4F3NO4
4

2-Methyl-3,5-dinitrobenzoic acid, 97+%

CAS: 28169-46-2 Formule moléculaire: C8H6N2O6 Poids moléculaire (g/mol): 226.14 Numéro MDL: MFCD00007161 Clé InChI: CDVNZMKTJIBBBV-UHFFFAOYSA-N Synonyme: 2-methyl-3,5-dinitrobenzoic acid,3,5-dinitro-2-methylbenzoic acid,3,5-dinitro-o-toluic acid,benzoic acid, 2-methyl-3,5-dinitro,3,5-dinitrotoluic acid,o-toluic acid, 3,5-dinitro,2-methyl-3,5-dinitro-benzoic acid,3,5-dinitro-2-methyl-benzoic acid,acmc-1cfeu,o-toluic acid,5-dinitro CID PubChem: 98824 Nom IUPAC: 2-methyl-3,5-dinitrobenzoic acid SMILES: CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O

Poids moléculaire (g/mol) 226.14
Synonyme 2-methyl-3,5-dinitrobenzoic acid,3,5-dinitro-2-methylbenzoic acid,3,5-dinitro-o-toluic acid,benzoic acid, 2-methyl-3,5-dinitro,3,5-dinitrotoluic acid,o-toluic acid, 3,5-dinitro,2-methyl-3,5-dinitro-benzoic acid,3,5-dinitro-2-methyl-benzoic acid,acmc-1cfeu,o-toluic acid,5-dinitro
Numéro MDL MFCD00007161
CAS 28169-46-2
CID PubChem 98824
Nom IUPAC 2-methyl-3,5-dinitrobenzoic acid
Clé InChI CDVNZMKTJIBBBV-UHFFFAOYSA-N
SMILES CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
Formule moléculaire C8H6N2O6
5

2-Amino-5-nitrobenzoic acid, 98%

CAS: 616-79-5 Formule moléculaire: C7H6N2O4 Poids moléculaire (g/mol): 182.14 Numéro MDL: MFCD00017039 Clé InChI: RUCHWTKMOWXHLU-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 12032 ChEBI: CHEBI:61280 Nom IUPAC: 2-amino-5-nitrobenzoic acid SMILES: NC1=CC=C(C=C1C(O)=O)[N+]([O-])=O

Poids moléculaire (g/mol) 182.14
Synonyme 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
Numéro MDL MFCD00017039
CAS 616-79-5
CID PubChem 12032
ChEBI CHEBI:61280
Nom IUPAC 2-amino-5-nitrobenzoic acid
Clé InChI RUCHWTKMOWXHLU-UHFFFAOYSA-N
SMILES NC1=CC=C(C=C1C(O)=O)[N+]([O-])=O
Formule moléculaire C7H6N2O4
6

5-Hydroxy-2-nitrobenzoic acid, 99%

CAS: 610-37-7 Formule moléculaire: C7H5NO5 Poids moléculaire (g/mol): 183.119 Numéro MDL: MFCD00017566 Clé InChI: BUHKQTKKZAXSMH-UHFFFAOYSA-N CID PubChem: 11882 SMILES: C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]

Poids moléculaire (g/mol) 183.119
Numéro MDL MFCD00017566
CAS 610-37-7
CID PubChem 11882
Clé InChI BUHKQTKKZAXSMH-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]
Formule moléculaire C7H5NO5
7

5-Methyl-2-nitrobenzoic acid, 98+%

CAS: 3113-72-2 Formule moléculaire: C8H7NO4 Poids moléculaire (g/mol): 181.147 Numéro MDL: MFCD00007368 Clé InChI: QRRSIFNWHCKMSW-UHFFFAOYSA-N Synonyme: 5-methyl-2-nitrobenzoic acid,2-nitro-5-methylbenzoic acid,benzoic acid, 5-methyl-2-nitro,3-methyl-6-nitrobenzoic acid,6-nitro-m-toluic acid,m-toluic acid, 6-nitro,6-nitro-p-toluic acid,5-methyl-2-nitrobenzoicacid,5-methyl-2-nitro-benzoic acid,benzoic acid,5-methyl-2-nitro CID PubChem: 18371 SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Poids moléculaire (g/mol) 181.147
Synonyme 5-methyl-2-nitrobenzoic acid,2-nitro-5-methylbenzoic acid,benzoic acid, 5-methyl-2-nitro,3-methyl-6-nitrobenzoic acid,6-nitro-m-toluic acid,m-toluic acid, 6-nitro,6-nitro-p-toluic acid,5-methyl-2-nitrobenzoicacid,5-methyl-2-nitro-benzoic acid,benzoic acid,5-methyl-2-nitro
Numéro MDL MFCD00007368
CAS 3113-72-2
CID PubChem 18371
Clé InChI QRRSIFNWHCKMSW-UHFFFAOYSA-N
SMILES CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
Formule moléculaire C8H7NO4
8

Ethyl 2-nitrobenzoate, 97%

CAS: 610-34-4 Formule moléculaire: C9H9NO4 Poids moléculaire (g/mol): 195.17 Numéro MDL: MFCD00014696 Clé InChI: CPNMAYYYYSWTIV-UHFFFAOYSA-N Synonyme: ethyl o-nitrobenzoate,ethyl nitrobenzoate,benzoic acid, o-nitro-, ethyl ester,benzoic acid, 2-nitro-, ethyl ester,nitrobenzoesaureathylester,acmc-1aul6,2-nitro-benzoic acid ethyl ester CID PubChem: 69123 Nom IUPAC: ethyl 2-nitrobenzoate SMILES: CCOC(=O)C1=CC=CC=C1[N+]([O-])=O

Poids moléculaire (g/mol) 195.17
Synonyme ethyl o-nitrobenzoate,ethyl nitrobenzoate,benzoic acid, o-nitro-, ethyl ester,benzoic acid, 2-nitro-, ethyl ester,nitrobenzoesaureathylester,acmc-1aul6,2-nitro-benzoic acid ethyl ester
Numéro MDL MFCD00014696
CAS 610-34-4
CID PubChem 69123
Nom IUPAC ethyl 2-nitrobenzoate
Clé InChI CPNMAYYYYSWTIV-UHFFFAOYSA-N
SMILES CCOC(=O)C1=CC=CC=C1[N+]([O-])=O
Formule moléculaire C9H9NO4
9

3-Methyl-2-nitrobenzoic acid, 98%

CAS: 5437-38-7 Formule moléculaire: C8H7NO4 Poids moléculaire (g/mol): 181.15 Numéro MDL: MFCD00007180 Clé InChI: DGDAVTPQCQXLGU-UHFFFAOYSA-N Synonyme: 3-methyl-2-nitrobenzoic acid,2-nitro-m-toluic acid,2-nitro-3-methylbenzoic acid,benzoic acid, 3-methyl-2-nitro,unii-61wop984ab,3-methyl-2-nitro-benzoic acid,3-methyl-2-nitrobenzoicacid,pubchem8352,acmc-1ashh,dsstox_cid_5640 CID PubChem: 21575 Nom IUPAC: 3-methyl-2-nitrobenzoic acid SMILES: CC1=CC=CC(C(O)=O)=C1[N+]([O-])=O

Poids moléculaire (g/mol) 181.15
Synonyme 3-methyl-2-nitrobenzoic acid,2-nitro-m-toluic acid,2-nitro-3-methylbenzoic acid,benzoic acid, 3-methyl-2-nitro,unii-61wop984ab,3-methyl-2-nitro-benzoic acid,3-methyl-2-nitrobenzoicacid,pubchem8352,acmc-1ashh,dsstox_cid_5640
Numéro MDL MFCD00007180
CAS 5437-38-7
CID PubChem 21575
Nom IUPAC 3-methyl-2-nitrobenzoic acid
Clé InChI DGDAVTPQCQXLGU-UHFFFAOYSA-N
SMILES CC1=CC=CC(C(O)=O)=C1[N+]([O-])=O
Formule moléculaire C8H7NO4
10

3,5-Dinitrobenzoic acid, 98+%

CAS: 99-34-3 Formule moléculaire: C7H4N2O6 Poids moléculaire (g/mol): 212.12 Numéro MDL: MFCD00007253 Clé InChI: VYWYYJYRVSBHJQ-UHFFFAOYSA-N Synonyme: 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid CID PubChem: 7433 ChEBI: CHEBI:73914 Nom IUPAC: 3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

Poids moléculaire (g/mol) 212.12
Synonyme 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid
Numéro MDL MFCD00007253
CAS 99-34-3
CID PubChem 7433
ChEBI CHEBI:73914
Nom IUPAC 3,5-dinitrobenzoic acid
Clé InChI VYWYYJYRVSBHJQ-UHFFFAOYSA-N
SMILES OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
Formule moléculaire C7H4N2O6
11

2-Chloro-3-nitrobenzoic acid, 98%

CAS: 3970-35-2 Formule moléculaire: C7H4ClNO4 Poids moléculaire (g/mol): 201.562 Numéro MDL: MFCD00007069 Clé InChI: JRQDVRIQJJPHEQ-UHFFFAOYSA-N Synonyme: 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid CID PubChem: 19870 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O

Poids moléculaire (g/mol) 201.562
Synonyme 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid
Numéro MDL MFCD00007069
CAS 3970-35-2
CID PubChem 19870
Clé InChI JRQDVRIQJJPHEQ-UHFFFAOYSA-N
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
Formule moléculaire C7H4ClNO4
12

Ethyl 4-nitrobenzoate, 98%

CAS: 99-77-4 Formule moléculaire: C9H9NO4 Poids moléculaire (g/mol): 195.174 Numéro MDL: MFCD00007351 Clé InChI: PHWSCBWNPZDYRI-UHFFFAOYSA-N Synonyme: ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate CID PubChem: 7457 Nom IUPAC: ethyl 4-nitrobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Poids moléculaire (g/mol) 195.174
Synonyme ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate
Numéro MDL MFCD00007351
CAS 99-77-4
CID PubChem 7457
Nom IUPAC ethyl 4-nitrobenzoate
Clé InChI PHWSCBWNPZDYRI-UHFFFAOYSA-N
SMILES CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Formule moléculaire C9H9NO4
13

2-Fluoro-3-nitrobenzoic acid, 97%

CAS: 317-46-4 Formule moléculaire: C7H4FNO4 Poids moléculaire (g/mol): 185.11 Numéro MDL: MFCD06797825 Clé InChI: WLGUSLGYTNJJFV-UHFFFAOYSA-N Synonyme: 2-fluoro-3-nitrobenzoic acid,2-fluoro-3-nitrobenzoicacid,2-fluoro-3-nitro benzoic acid,3-carboxy-2-fluoronitrobenzene,pubchem1398,acmc-1ajf3,ksc494k8n,benzoic acid,2-fluoro-3-nitro CID PubChem: 18672992 Nom IUPAC: 2-fluoro-3-nitrobenzoic acid SMILES: OC(=O)C1=C(F)C(=CC=C1)[N+]([O-])=O

Poids moléculaire (g/mol) 185.11
Synonyme 2-fluoro-3-nitrobenzoic acid,2-fluoro-3-nitrobenzoicacid,2-fluoro-3-nitro benzoic acid,3-carboxy-2-fluoronitrobenzene,pubchem1398,acmc-1ajf3,ksc494k8n,benzoic acid,2-fluoro-3-nitro
Numéro MDL MFCD06797825
CAS 317-46-4
CID PubChem 18672992
Nom IUPAC 2-fluoro-3-nitrobenzoic acid
Clé InChI WLGUSLGYTNJJFV-UHFFFAOYSA-N
SMILES OC(=O)C1=C(F)C(=CC=C1)[N+]([O-])=O
Formule moléculaire C7H4FNO4
14

2-Methyl-5-nitrobenzoic acid, 98+%

CAS: 1975-52-6 Formule moléculaire: C8H7NO4 Poids moléculaire (g/mol): 181.147 Numéro MDL: MFCD00007371 Clé InChI: DJRFJAVPROZZFL-UHFFFAOYSA-N Synonyme: 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244 CID PubChem: 519683 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Poids moléculaire (g/mol) 181.147
Synonyme 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244
Numéro MDL MFCD00007371
CAS 1975-52-6
CID PubChem 519683
Clé InChI DJRFJAVPROZZFL-UHFFFAOYSA-N
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O
Formule moléculaire C8H7NO4
15

3-Hydroxy-4-nitrobenzoic acid, 98%

CAS: 619-14-7 Formule moléculaire: C7H5NO5 Poids moléculaire (g/mol): 183.12 Numéro MDL: MFCD00007110 Clé InChI: XLDLRRGZWIEEHT-UHFFFAOYSA-N Synonyme: 3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid CID PubChem: 69265 Nom IUPAC: 3-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O

Poids moléculaire (g/mol) 183.12
Synonyme 3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid
Numéro MDL MFCD00007110
CAS 619-14-7
CID PubChem 69265
Nom IUPAC 3-hydroxy-4-nitrobenzoic acid
Clé InChI XLDLRRGZWIEEHT-UHFFFAOYSA-N
SMILES OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O
Formule moléculaire C7H5NO5