Methyl 2-methyl-6-nitrobenzoate

HCID 596057

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Basic information

CAS: 61940-22-5
Standard SMILES: COC(=O)c1c(C)cccc1[N+](=O)[O-]
InChIKey: XPVBLOOMFDNJTH-UHFFFAOYSA-N
Molecular formula: C9H9NO4
Average molar mass: 195.17 g/mol
Monoisotopic mass: 195.05315777

Names & identifiers

Preferred name: Methyl 2-methyl-6-nitrobenzoate
IUPAC: methyl 2-methyl-6-nitrobenzoate
English name: METHYL-2METHYL-6-NITRO-BENZOATE
Molecular formula: C9H9NO4
Molecular weight: 195.17

Names & synonyms

Methyl 2-methyl-6-nitrobenzoate61940-22-5DTXSID50344340RefChem:354401DTXCID60295415822-042-6Methyl 2-Methyl-6-nitro-benzoateMETHYL-2METHYL-6-NITRO-BENZOATEMFCD11042453Benzoic acid, 2-methyl-6-nitro-, methyl esterMethyl2-methyl-6-nitrobenzoateSCHEMBL283363

Show more names

2-Methyl-6-nitrobenzoic acid methyl ester2-Methyl-6-nitro-benzoic acid methyl esterMethyl 2-methyl-6-nitrobenzoate; Methyl 6-methyl-2-nitrobenzoate; 6-Nitro-o-toluic Acid Methyl EsterLenalidomide Impurity 22methyl-2-methyl-6-nitrobenzoateLCA94022Methyl 2-methyl-6-nitrobenzoate #AKOS009098673

Database identifiers

CAS: 61940-22-5
PubChem CID: 596057
DTXSID: DTXSID50344340
EC Number: 822-042-6

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 235

Physicochemical properties

Boiling point: 283.4 · 283.4±20.0 °C(Predicted)
Density: 1 · 1+-.0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: DCM, Methanol
form: Solid
color: Brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2916310090 · 2916310090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2916310090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses2-Methyl-6-nitrobenzoic Acid Methyl Ester is an ester derivative of 2-Methyl-nitrobenzoic Acid (M325545), an derivative of Anthranilic Acid (A679220).