N-methyl-3-nitrobenzamide

HCID 221964CAS 3400-26-8

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Basic information

Standard SMILES: CNC(=O)c1cccc([N+](=O)[O-])c1
InChIKey: KKNRKRLMGLMZDK-UHFFFAOYSA-N
Molecular formula: C8H8N2O3
Average molar mass: 180.16 g/mol
Monoisotopic mass: 180.05349212

Names & identifiers

Preferred name: N-methyl-3-nitrobenzamide
IUPAC: N-methyl-3-nitrobenzamide
English name: N-methyl-3-nitrobenzamide
Molecular formula: C8H8N2O3
Molecular weight: 180.16

Names & synonyms

N-methyl-3-nitrobenzamide3400-26-8DTXSID30278376RefChem:1091891DTXCID20229534MFCD00714941N-Methyl-3-nitro-benzamideBenzamide, N-methyl-3-nitro-NSC7097Oprea1_590681SCHEMBL10355SCHEMBL4577705

Show more names

SCHEMBL6959553SCHEMBL7525861SCHEMBL7584692SCHEMBL9319698BenzaMide, 3-nitro-N-Methyl-N-methyl(3-nitrophenyl)carboxamideCS-M0747NSC-7097

Database identifiers

CAS: 3400-26-8
PubChem CID: 221964
DTXSID: DTXSID30278376
EC Number: 191-316-9

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 212

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
InChI: 1S/C8H8N2O3/c1-9-8(11)6-3-2-4-7(5-6)10(12)13/h2-5H,1H3,(H,9,11)
SMILES: O=C(NC)C1=CC=CC([N+]([O-])=O)=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
HS Code: 2924297099 · 2924297099

Safety & regulation

Safety data

hs_code: 2924297099
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501