2-Chloro-N-(4-methylphenyl)acetamide

HCID 27967

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Basic information

CAS: 16634-82-5
Standard SMILES: Cc1ccc(NC(=O)CCl)cc1
InChIKey: CITIOELQTFSEGI-UHFFFAOYSA-N
Molecular formula: C9H10ClNO
Average molar mass: 183.63 g/mol
Monoisotopic mass: 183.0450916

Names & identifiers

Preferred name: 2-Chloro-N-(4-methylphenyl)acetamide
IUPAC: 2-chloro-N-(4-methylphenyl)acetamide
English name: 2-CHLORO-N-(4-METHYLPHENYL)ACETAMIDE
Molecular formula: C9H10ClNO
Molecular weight: 183.63

Names & synonyms

2-chloro-N-(4-methylphenyl)acetamide16634-82-52-Chloro-4-acetotoluidineRefChem:468935435-170-92-Chloro-N-(p-tolyl)acetamide2-Chloro-4'-methylacetanilide2-Chloro-p-acetotoluidide2-Chloroaceto-p-toluididep-Toluene chloromethylamide2-Chloro-4-acetotoluidideMFCD00018910

Show more names

AKOS BC-3032AKOS B015627WLN: G1VMR D1WLN: GR C1 FMV1AKOS BBS-00003959CHEMBRDG-BB 3015627ART-CHEM-BB B015627N-(p-Tolyl)-alpha-chloro

2-Chloro-N-p-tolylacetamideN-(Chloroacetyl)-p-toluidineAcetamide, 2-chloro-N-(p-tolyl)-p-ACETOTOLUIDIDE, 2-CHLORO-2-Chloro-N-p-tolyl-acetamideAcetamide, 2-chloro-N-(4-methylphenyl)-p-Methylchloroacetanilide4-Methyl-alpha-chloroacetanilide

Database identifiers

CAS: 16634-82-5
PubChem CID: 27967
DTXSID: DTXSID9075113
ChEMBL: CHEMBL3334594
EC Number: 435-170-9、605-437-6
Nikkaji: J55.063I

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 153

Physicochemical properties

Melting point: 164 · 164-166
Boiling point: 91 °C · 91°C (rough estimate)
Density: 1.1611 · 1.1611 (rough estimate)
refractive index: 1.533 · 1.5330 (estimate)
storage temp.: Store at Room Tem.
pka: 12.9 · 12.90±0.70(Predicted)
CAS DataBase Reference: 16634 · 16634-82-5(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 2 · 2-Chloro-p-acetotoluidide (16634-82-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2921420090 · 2921420090
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]；H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Danger

Hazard information

Regulatory InformationStatus: Active Update: 28-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12904

Hazard Classes and Categories · 4 items

Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；Aquatic Acute 1 (66.7%)；Aquatic Chronic 1 (100%)

Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)

Eye damage - category 1；Skin sensitisation - category 1；Hazardous to the aquatic environment (acute) - category 1；Hazardous to the aquatic environment (chronic) - category 1

Eye Dam. 1；Skin Sens. 1；Aquatic Acute 1；Aquatic Chronic 1

Regulatory information

Regulatory InformationStatus: Active Update: 28-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12904

Safety data

hs_code: 2921420090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H315-H319
REACH Registrations: Inactive
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313