3-Methyl-2-nitrobenzoic acid

Modify Date: 2025-08-20 23:22:33

3-Methyl-2-nitrobenzoic acid Structure
3-Methyl-2-nitrobenzoic acid structure
 Common Name 3-Methyl-2-nitrobenzoic acid
CAS Number 5437-38-7 Molecular Weight 181.145
Density 1.4±0.1 g/cm3 Boiling Point 340.0±30.0 °C at 760 mmHg
Molecular Formula C8H7NO4 Melting Point 220-223 °C(lit.)
MSDS Chinese USA Flash Point 153.4±13.0 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Names

Name 3-Methyl-2-nitrobenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 340.0±30.0 °C at 760 mmHg
Melting Point 220-223 °C(lit.)
Molecular Formula C8H7NO4
Molecular Weight 181.145
Flash Point 153.4±13.0 °C
Exact Mass 181.037506
PSA 83.12000
LogP 2.02
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.601
InChIKey DGDAVTPQCQXLGU-UHFFFAOYSA-N
SMILES Cc1cccc(C(=O)O)c1[N+](=O)[O-]
Water Solubility <0.1 g/100 mL at 22 ºC

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S36-S36/37/39-S22
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 2916399090

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 3-Methyl-2-nitrobenzoic acidBioassay

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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
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 Synonyms

Benzoic acid,3-methyl-2-nitro
MFCD00007180
3-Methyl-2-nitro-benzoic acid
3-Methyl-2-nitro-benzoesaeure
2-Nitro-3-methylbenzoic acid
3-Methyl-2-nitrobenzoic acid
EINECS 226-610-9
2-Nitro-m-toluic acid
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