N-(5-Chloro-2-methylphenyl)acetamide

HCID 80000

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Basic information

CAS: 5900-55-0
Standard SMILES: CC(=O)Nc1cc(Cl)ccc1C
InChIKey: AQHVWJACZZWZPW-UHFFFAOYSA-N
Molecular formula: C9H10ClNO
Average molar mass: 183.63 g/mol
Monoisotopic mass: 183.04509162

Names & identifiers

Preferred name: N-(5-Chloro-2-methylphenyl)acetamide
IUPAC: N-(5-chloro-2-methylphenyl)acetamide
English name: 2-Acetamino-4-chlorotoluene
Molecular formula: C9H10ClNO
Molecular weight: 183.64

Names & synonyms

N-(5-Chloro-2-methylphenyl)acetamide5900-55-0CE65MZX3VHEINECS 227-592-5NSC-404301DTXSID302077422-ACETAMIDO-4-CHLOROTOLUENENSC 404301RefChem:828136DTXCID80130233227-592-52-Acetamino-4-chlorotoluene

Show more names

4-CHLORO-2-ACETAMINOTOLUENEN-(phenylmethyl)-N'-(pyridin-4-ylmethyl)oxamide

5-Chloro-o-acetotoluidideMFCD000187435-Chloro-2-methylacetanilideo-Acetotoluidide, 5'-chloro-5'-Chloro-2'-methylacetanilideAcetamide, N-(5-chloro-2-methylphenyl)-NSC404301UNII-CE65MZX3VH

Database identifiers

CAS: 5900-55-0
PubChem CID: 80000
DTXSID: DTXSID30207742
UNII: CE65MZX3VH
EC Number: 227-592-5
Nikkaji: J223.871C

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 172

Experimental & physicochemical properties

LogP1.85

Physicochemical properties

Melting point: 129 · 129-130 °C
Boiling point: 319.6 · 319.6±30.0 °C(Predicted)
Density: 1.218 · 1.218±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 14.46 · 14.46±0.70(Predicted)
Appearance: Off-white to light yellow Solid
FDA UNII: 65 MZX3VH · CE65MZX3VH
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H315-H335-H302
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H318-H315-H335-H302
Precautionary statements: P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501