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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
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Methyl 3-nitrobenzoate, 98%

CAS: 618-95-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007250 InChI Key: AXLYJLKKPUICKV-UHFFFAOYSA-N Synonym: 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 PubChem CID: 69260 IUPAC Name: methyl 3-nitrobenzoate SMILES: COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

PubChem CID 69260
CAS 618-95-1
Molecular Weight (g/mol) 181.15
MDL Number MFCD00007250
SMILES COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Synonym 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
IUPAC Name methyl 3-nitrobenzoate
InChI Key AXLYJLKKPUICKV-UHFFFAOYSA-N
Molecular Formula C8H7NO4
2

4-Methyl-3-nitrobenzoic acid, 99%

CAS: 96-98-0 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007174 InChI Key: BBEWSMNRCUXQRF-UHFFFAOYSA-N PubChem CID: 7319 SMILES: CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 7319
CAS 96-98-0
Molecular Weight (g/mol) 181.15
MDL Number MFCD00007174
SMILES CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
InChI Key BBEWSMNRCUXQRF-UHFFFAOYSA-N
Molecular Formula C8H7NO4
3
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2-Chloro-3-nitrobenzoic acid, 98%

CAS: 3970-35-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007069 InChI Key: JRQDVRIQJJPHEQ-UHFFFAOYSA-N Synonym: 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 PubChem CID: 19870 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O

PubChem CID 19870
CAS 3970-35-2
Molecular Weight (g/mol) 201.57
MDL Number MFCD00007069
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
Synonym 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
InChI Key JRQDVRIQJJPHEQ-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
4
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2-Methyl-6-nitrobenzoic acid, 99%, Thermo Scientific™

CAS: 13506-76-8 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 InChI Key: CCXSGQZMYLXTOI-UHFFFAOYSA-N Synonym: 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 PubChem CID: 16097 SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

PubChem CID 16097
CAS 13506-76-8
Molecular Weight (g/mol) 181.15
SMILES CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O
Synonym 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
InChI Key CCXSGQZMYLXTOI-UHFFFAOYSA-N
Molecular Formula C8H7NO4
5
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3,4-Dinitrobenzoic acid, 99%

CAS: 528-45-0 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007255 InChI Key: OMVRRHJJQILIJX-UHFFFAOYSA-N Synonym: 3,4-dinitrobenzoic acid,benzoic acid, 3,4-dinitro,unii-0l3n4t0gpd,ccris 3128,3,4-dinitrobenzioc acid,0l3n4t0gpd,3,4-dinitrobenzoate,3,4-di-nitro-benzoic acid,zlchem 522,pubchem4956 PubChem CID: 10709 IUPAC Name: 3,4-dinitrobenzoic acid SMILES: OC(=O)C1=CC=C(C(=C1)[N+]([O-])=O)[N+]([O-])=O

PubChem CID 10709
CAS 528-45-0
Molecular Weight (g/mol) 212.12
MDL Number MFCD00007255
SMILES OC(=O)C1=CC=C(C(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym 3,4-dinitrobenzoic acid,benzoic acid, 3,4-dinitro,unii-0l3n4t0gpd,ccris 3128,3,4-dinitrobenzioc acid,0l3n4t0gpd,3,4-dinitrobenzoate,3,4-di-nitro-benzoic acid,zlchem 522,pubchem4956
IUPAC Name 3,4-dinitrobenzoic acid
InChI Key OMVRRHJJQILIJX-UHFFFAOYSA-N
Molecular Formula C7H4N2O6
6

3-Methyl-4-nitrobenzoic acid, 99%

CAS: 3113-71-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007168 InChI Key: XDTTUTIFWDAMIX-UHFFFAOYSA-N PubChem CID: 18370 SMILES: CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 18370
CAS 3113-71-1
Molecular Weight (g/mol) 181.15
MDL Number MFCD00007168
SMILES CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
InChI Key XDTTUTIFWDAMIX-UHFFFAOYSA-N
Molecular Formula C8H7NO4
7

2-Methyl-5-nitrobenzoic acid, 99+%, Thermo Scientific™

CAS: 1975-52-6 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007371 InChI Key: DJRFJAVPROZZFL-UHFFFAOYSA-N Synonym: 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 PubChem CID: 519683 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

PubChem CID 519683
CAS 1975-52-6
Molecular Weight (g/mol) 181.15
MDL Number MFCD00007371
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O
Synonym 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
InChI Key DJRFJAVPROZZFL-UHFFFAOYSA-N
Molecular Formula C8H7NO4
8
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5-chloro-2-nitrobenzoic acid, 99%

CAS: 2516-95-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007290 InChI Key: ZKUYSJHXBFFGPU-UHFFFAOYSA-N Synonym: 5-chloro-2-nitrobenzoic acid,benzoic acid, 5-chloro-2-nitro,2-nitro-5-chlorobenzoic acid,3-chloro-6-nitrobenzoic acid,5-chloro-2-nitro-benzoic acid,pubchem4586,acmc-209ghs,rarechem al bo 1106,timtec-bb sbb009922,2-nitro-5-chlorobenzoate PubChem CID: 17286 SMILES: C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-]

PubChem CID 17286
CAS 2516-95-2
Molecular Weight (g/mol) 201.57
MDL Number MFCD00007290
SMILES C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-]
Synonym 5-chloro-2-nitrobenzoic acid,benzoic acid, 5-chloro-2-nitro,2-nitro-5-chlorobenzoic acid,3-chloro-6-nitrobenzoic acid,5-chloro-2-nitro-benzoic acid,pubchem4586,acmc-209ghs,rarechem al bo 1106,timtec-bb sbb009922,2-nitro-5-chlorobenzoate
InChI Key ZKUYSJHXBFFGPU-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
9
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2-Chloro-5-nitrobenzoic Acid, 99+%

CAS: 2516-96-3 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007294 InChI Key: QUEKGYQTRJVEQC-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid PubChem CID: 17287 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

PubChem CID 17287
CAS 2516-96-3
Molecular Weight (g/mol) 201.56
MDL Number MFCD00007294
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl
Synonym 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid
InChI Key QUEKGYQTRJVEQC-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
10

2-Chloro-4-nitrobenzoic acid, 98%

CAS: 99-60-5 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007209 InChI Key: QAYNSPOKTRVZRC-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde PubChem CID: 7448 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O

PubChem CID 7448
CAS 99-60-5
Molecular Weight (g/mol) 201.57
MDL Number MFCD00007209
SMILES C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O
Synonym 2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde
InChI Key QAYNSPOKTRVZRC-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
11

Aobchem 1 5-Dichloro-2-iodo-3-nitrobenzene | ≥95% | CAS 189576-09-8 | C6H2Cl2INO2 | 1g

1 5-Dichloro-2-iodo-3-nitrobenzene | ≥95% | CAS 189576-09-8 | C6H2Cl2INO2 | 1g

ENCOMPASS_PREFERRED
12

Aobchem 1 5-Dichloro-2-iodo-3-nitrobenzene | ≥95% | CAS 189576-09-8 | C6H2Cl2INO2 | 500mg

1 5-Dichloro-2-iodo-3-nitrobenzene | ≥95% | CAS 189576-09-8 | C6H2Cl2INO2 | 500mg

ENCOMPASS_PREFERRED
13

Aobchem 1 5-Dichloro-2-iodo-3-nitrobenzene | ≥95% | CAS 189576-09-8 | C6H2Cl2INO2 | 250mg

1 5-Dichloro-2-iodo-3-nitrobenzene | ≥95% | CAS 189576-09-8 | C6H2Cl2INO2 | 250mg

ENCOMPASS_PREFERRED
14

eMolecules​ 99512-09-1 | Ambeed | Methyl 3-amino-4-nitrobenzoate | 1g | 525141983 | A232470 | MFCD00017008 | 196.162 | C8H8N2O4

Ambeed | Methyl 3-amino-4-nitrobenzoate | 1g | 525141983 | A232470 | 99512-09-1 | MFCD00017008 | 196.162 | C8H8N2O4

ENCOMPASS_PREFERRED
15

eMolecules​ 446-09-3 | 1-Bromo-4-fluoro-2-nitrobenzene | Oakwood Chemical | MFCD00055530 | 219.997 | C6H3BrFNO2 | 95.000 | [O-][N+](=O)c1cc(F)ccc1Br | 5g | 537671867

1-Bromo-4-fluoro-2-nitrobenzene | Oakwood Chemical | 446-09-3 | MFCD00055530 | 219.997 | C6H3BrFNO2 | 95.000 | [O-][N+](=O)c1cc(F)ccc1Br | 5g | 537671867

ENCOMPASS_PREFERRED