CAS 102631-03-8 2',3'-Dimethyl-3-nitrobenzanilide (HCID 816571)

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Basic information

CAS: 102631-03-8
Standard SMILES: Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C
InChIKey: RVAMVTLZSAFRCP-UHFFFAOYSA-N
Molecular formula: C15H14N2O3
Average molar mass: 270.28 g/mol

Names & identifiers

Preferred name: 2',3'-Dimethyl-3-nitrobenzanilide
IUPAC: N-(2,3-dimethylphenyl)-3-nitrobenzamide
English name: N-(2,3-DiMethylphenyl)-3-nitrobenzaMide, 97%
Molecular formula: C15H14N2O3
Molecular weight: 270.28

Names & synonyms

102631-03-8RefChem:4393792',3'-Dimethyl-3-nitrobenzanilide662-739-0N-(2,3-dimethylphenyl)-3-nitrobenzamideMFCD00157808Benzamide, N-(2,3-dimethylphenyl)-3-nitro-3-nitro-N-(2,3-dimethylphenyl)benzamideOprea1_322494Oprea1_547752SCHEMBL8870819RVAMVTLZSAFRCP-UHFFFAOYSA-N

Show more names

ST5299628ZINC00329781BAS 00369012N-(2,3-DiMethylphenyl)-3-nitrobenzaMide, 97%

ALBB-023474STK202519AKOS000374033DA-16186LS-07392N-(2,3-dimethylphenyl)-3-nitro-benzamideCS-0318891ST45025865

Database identifiers

CAS: 102631-03-8
PubChem CID: 816571
EC Number: 662-739-0

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 367

Physicochemical properties

Melting point: 171 · 171-172 °C(Solv: benzene (71-43-2))
Boiling point: 352.5 · 352.5±42.0 °C(Predicted)
Density: 1.27 · 1.270±0.06 g/cm3(Predicted)
pka: 12.53 · 12.53±0.70(Predicted)
CAS DataBase Reference: 102631 · 102631-03-8
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H318-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H335-H318-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310