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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 – 15 de 214 résultats
1

2,6-Dimethoxy-3-nitrobenzoic acid, 97%

CAS: 55776-17-5 Formule moléculaire: C9H9NO6 Poids moléculaire (g/mol): 227.172 Numéro MDL: MFCD00017324 Clé InChI: YIKBQFPTPKEFSM-UHFFFAOYSA-N Synonyme: 2,6-dimethoxy-3-nitro-benzoic acid,acmc-20ao8d,benzoic acid, 2,6-dimethoxy-3-nitro CID PubChem: 3085094 Nom IUPAC: 2,6-dimethoxy-3-nitrobenzoic acid SMILES: COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)O

Poids moléculaire (g/mol) 227.172
Synonyme 2,6-dimethoxy-3-nitro-benzoic acid,acmc-20ao8d,benzoic acid, 2,6-dimethoxy-3-nitro
Numéro MDL MFCD00017324
CAS 55776-17-5
CID PubChem 3085094
Nom IUPAC 2,6-dimethoxy-3-nitrobenzoic acid
Clé InChI YIKBQFPTPKEFSM-UHFFFAOYSA-N
SMILES COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)O
Formule moléculaire C9H9NO6
2

Methyl 2-nitro-3,4,5-trimethoxybenzoate, 98%

CAS: 5081-42-5 Formule moléculaire: C11H13NO7 Poids moléculaire (g/mol): 271.225 Numéro MDL: MFCD00007097 Clé InChI: HCEIEWYPDCDNNU-UHFFFAOYSA-N Synonyme: methyl 2-nitro-3,4,5-trimethoxybenzoate,methyl 6-nitro-3,4,5-trimethoxybenzoate,3,4,5-trimethoxy-2-nitrobenzoic acid methyl ester,benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester,2-nitro-3,4,5-trimethoxybenzoic acid methyl ester,pubchem22545,opera_id_1985,acmc-1ar8w,hceiewypdcdnnu-uhfffaoysa,methyl 3,5-trimethoxy-2-nitrobenzoate CID PubChem: 78765 Nom IUPAC: methyl 3,4,5-trimethoxy-2-nitrobenzoate SMILES: COC1=C(C(=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC)OC

Poids moléculaire (g/mol) 271.225
Synonyme methyl 2-nitro-3,4,5-trimethoxybenzoate,methyl 6-nitro-3,4,5-trimethoxybenzoate,3,4,5-trimethoxy-2-nitrobenzoic acid methyl ester,benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester,2-nitro-3,4,5-trimethoxybenzoic acid methyl ester,pubchem22545,opera_id_1985,acmc-1ar8w,hceiewypdcdnnu-uhfffaoysa,methyl 3,5-trimethoxy-2-nitrobenzoate
Numéro MDL MFCD00007097
CAS 5081-42-5
CID PubChem 78765
Nom IUPAC methyl 3,4,5-trimethoxy-2-nitrobenzoate
Clé InChI HCEIEWYPDCDNNU-UHFFFAOYSA-N
SMILES COC1=C(C(=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC)OC
Formule moléculaire C11H13NO7
3

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
4

2-Methyl-6-nitrobenzoic acid, 98%

CAS: 13506-76-8 Formule moléculaire: C8H7NO4 Poids moléculaire (g/mol): 181.147 Numéro MDL: MFCD00007267 Clé InChI: CCXSGQZMYLXTOI-UHFFFAOYSA-N Synonyme: 2-methyl-6-nitrobenzoic acid,6-nitro-o-toluic acid,benzoic acid, 2-methyl-6-nitro,6-methyl-2-nitrobenzoic acid,2-methyl-6-nitro-benzoic acid,o-toluic acid, 6-nitro,2-methyl-6-nitrobenzoicacid,unii-jm85y56dx1,nitrotoluylsaure,nitro-ortho-toluic acid CID PubChem: 16097 SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

Poids moléculaire (g/mol) 181.147
Synonyme 2-methyl-6-nitrobenzoic acid,6-nitro-o-toluic acid,benzoic acid, 2-methyl-6-nitro,6-methyl-2-nitrobenzoic acid,2-methyl-6-nitro-benzoic acid,o-toluic acid, 6-nitro,2-methyl-6-nitrobenzoicacid,unii-jm85y56dx1,nitrotoluylsaure,nitro-ortho-toluic acid
Numéro MDL MFCD00007267
CAS 13506-76-8
CID PubChem 16097
Clé InChI CCXSGQZMYLXTOI-UHFFFAOYSA-N
SMILES CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O
Formule moléculaire C8H7NO4
5

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
6

Dimethyl 3-nitrophthalate, 98%

CAS: 13365-26-9 Formule moléculaire: C10H9NO6 Poids moléculaire (g/mol): 239.183 Numéro MDL: MFCD00017184 Clé InChI: MLQMIKSBTAZNBK-UHFFFAOYSA-N CID PubChem: 249912 Nom IUPAC: dimethyl 3-nitrobenzene-1,2-dicarboxylate SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC

Poids moléculaire (g/mol) 239.183
Numéro MDL MFCD00017184
CAS 13365-26-9
CID PubChem 249912
Nom IUPAC dimethyl 3-nitrobenzene-1,2-dicarboxylate
Clé InChI MLQMIKSBTAZNBK-UHFFFAOYSA-N
SMILES COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC
Formule moléculaire C10H9NO6
7

Methyl 4-chloro-3-nitrobenzoate, 98%

CAS: 14719-83-6 Formule moléculaire: C8H6ClNO4 Poids moléculaire (g/mol): 215.59 Numéro MDL: MFCD00016989 Clé InChI: XRTKWPWDSUNLHS-UHFFFAOYSA-N Synonyme: methyl 4-chloro-3-nitrobenzate,4-chloro-3-nitrobenzoic acid methyl ester,methyl-4-chloro-3-nitrobenzoate,benzoic acid, 4-chloro-3-nitro-, methyl ester,acmc-209cya,methyl-3-nitro-4-chlorobenzoate,methyl 3-nitro-4-chlorobenzoate,xrtkwpwdsunlhs-uhfffaoysa,methyl 4-chloro-3-nitro-benzoate,methyl4-chloro-3-nitrobenzoate CID PubChem: 735797 Nom IUPAC: methyl 4-chloro-3-nitrobenzoate SMILES: COC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O

Poids moléculaire (g/mol) 215.59
Synonyme methyl 4-chloro-3-nitrobenzate,4-chloro-3-nitrobenzoic acid methyl ester,methyl-4-chloro-3-nitrobenzoate,benzoic acid, 4-chloro-3-nitro-, methyl ester,acmc-209cya,methyl-3-nitro-4-chlorobenzoate,methyl 3-nitro-4-chlorobenzoate,xrtkwpwdsunlhs-uhfffaoysa,methyl 4-chloro-3-nitro-benzoate,methyl4-chloro-3-nitrobenzoate
Numéro MDL MFCD00016989
CAS 14719-83-6
CID PubChem 735797
Nom IUPAC methyl 4-chloro-3-nitrobenzoate
Clé InChI XRTKWPWDSUNLHS-UHFFFAOYSA-N
SMILES COC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O
Formule moléculaire C8H6ClNO4
8

Nitroterephthalic acid, 99+%

CAS: 610-29-7 Formule moléculaire: C8H5NO6 Poids moléculaire (g/mol): 211.13 Numéro MDL: MFCD00007141 Clé InChI: QUMITRDILMWWBC-UHFFFAOYSA-N Synonyme: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u CID PubChem: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

Poids moléculaire (g/mol) 211.13
Synonyme nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
Numéro MDL MFCD00007141
CAS 610-29-7
CID PubChem 69122
Clé InChI QUMITRDILMWWBC-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Formule moléculaire C8H5NO6
9

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
10

3-Nitrobenzoic acid, 99%

CAS: 121-92-6 Formule moléculaire: C7H5NO4 Poids moléculaire (g/mol): 167.12 Numéro MDL: MFCD00007251 Clé InChI: AFPHTEQTJZKQAQ-UHFFFAOYSA-N Synonyme: 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid CID PubChem: 8497 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O

Poids moléculaire (g/mol) 167.12
Synonyme 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid
Numéro MDL MFCD00007251
CAS 121-92-6
CID PubChem 8497
Clé InChI AFPHTEQTJZKQAQ-UHFFFAOYSA-N
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Formule moléculaire C7H5NO4
11

4-Nitrobenzoic acid, 99+%

CAS: 62-23-7 Formule moléculaire: C7H5NO4 Poids moléculaire (g/mol): 167.12 Numéro MDL: MFCD00007352 Clé InChI: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonyme: 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova CID PubChem: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

Poids moléculaire (g/mol) 167.12
Synonyme 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova
Numéro MDL MFCD00007352
CAS 62-23-7
CID PubChem 6108
ChEBI CHEBI:262350
Clé InChI OTLNPYWUJOZPPA-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
Formule moléculaire C7H5NO4
12

4-Methyl-3-nitrobenzoic acid, 99%

CAS: 96-98-0 Formule moléculaire: C8H7NO4 Poids moléculaire (g/mol): 181.15 Numéro MDL: MFCD00007174 Clé InChI: BBEWSMNRCUXQRF-UHFFFAOYSA-N CID PubChem: 7319 SMILES: CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Poids moléculaire (g/mol) 181.15
Numéro MDL MFCD00007174
CAS 96-98-0
CID PubChem 7319
Clé InChI BBEWSMNRCUXQRF-UHFFFAOYSA-N
SMILES CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
Formule moléculaire C8H7NO4
13

Ethyl 4-nitrobenzoate, 99%

CAS: 99-77-4 Formule moléculaire: C9H9NO4 Poids moléculaire (g/mol): 195.17 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) 195.17
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
14

Methyl 3-nitrobenzoate, 98%

CAS: 618-95-1 Formule moléculaire: C8H7NO4 Poids moléculaire (g/mol): 181.15 Numéro MDL: MFCD00007250 Clé InChI: AXLYJLKKPUICKV-UHFFFAOYSA-N Synonyme: 3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate CID PubChem: 69260 Nom IUPAC: methyl 3-nitrobenzoate SMILES: COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Poids moléculaire (g/mol) 181.15
Synonyme 3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate
Numéro MDL MFCD00007250
CAS 618-95-1
CID PubChem 69260
Nom IUPAC methyl 3-nitrobenzoate
Clé InChI AXLYJLKKPUICKV-UHFFFAOYSA-N
SMILES COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Formule moléculaire C8H7NO4
15

2-Fluoro-4-nitrobenzoic acid, 98%

CAS: 403-24-7 Formule moléculaire: C7H4FNO4 Poids moléculaire (g/mol): 185.11 Numéro MDL: MFCD00275565 Clé InChI: MMWFMFZFCKADEL-UHFFFAOYSA-N Synonyme: 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure CID PubChem: 302679 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O

Poids moléculaire (g/mol) 185.11
Synonyme 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure
Numéro MDL MFCD00275565
CAS 403-24-7
CID PubChem 302679
Clé InChI MMWFMFZFCKADEL-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O
Formule moléculaire C7H4FNO4