2-chloro-N-(3-methylphenyl)acetamide

HCID 296325

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Basic information

CAS: 32428-61-8
Standard SMILES: Cc1cccc(NC(=O)CCl)c1
InChIKey: GYMACIQGUHXSLT-UHFFFAOYSA-N
Molecular formula: C9H10ClNO
Average molar mass: 183.63 g/mol
Monoisotopic mass: 183.04509162

Names & identifiers

Preferred name: 2-chloro-N-(3-methylphenyl)acetamide
IUPAC: 2-chloro-N-(3-methylphenyl)acetamide
English name: 2-Chloro-N-(3-methylphenyl)acetamide
Molecular formula: C9H10ClNO
Molecular weight: 183.64

Names & synonyms

2-chloro-N-(3-methylphenyl)acetamideDTXSID70304587RefChem:470129DTXCID40255719978-342-332428-61-82-chloro-N-(m-tolyl)acetamideMFCD00018901Acetamide, N-(3-methylphenyl)-2-chloro-NSC166401Chloracetyl-m-toluidin2-Chloro-N-m-tolyl-acetamide

Show more names

AKOS B015628ASISCHEM P29915AKOS BBS-00003961CHEMBRDG-BB 3015628ART-CHEM-BB B0156282-Chloro-3-MethylacetanilideN-(3-Methylphenyl)chloroacetamide2-chloro-N-(3-methylphenyl)ethanamide

SCHEMBL4005968CHEMBL1998563SCHEMBL302543462-Chloro-N-(m-tolyl d7)acetamide2-Chloro-N-(m-tolyl-d7)acetamideALBB-002259SBB004509STK117233

Database identifiers

CAS: 32428-61-8
PubChem CID: 296325
DTXSID: DTXSID70304587
ChEMBL: CHEMBL1998563
EC Number: 978-342-3
Nikkaji: J1.395.865C

Properties

Computed structural properties

XLogP: 2.3
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: 161

Physicochemical properties

Melting point: 90 · 90-91 °C(Solv: benzene (71-43-2))
Boiling point: 154 °C · 154 °C
Density: 1.222 · 1.222±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 12.9 · 12.90±0.70(Predicted)
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P271-P261-P264-P304-P340-P312-P302-P352-P362-2-P363-P332-P313-P305-P351-P338-P337-P405-P501
Hazard Codes: Xi
HazardClass: IRRITANT

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)

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

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P280-P271-P261-P264-P304-P340-P312-P302-P352-P362-2-P363-P332-P313-P305-P351-P338-P337-P405-P501

Chemistry & industry

Applications

Uses2-Chloro-N-(3-methylphenyl)acetamide due to its N-alkyl/aryl chloroacetamide sturcture has good antimicrobial properties and in a study showed good antibacterial and antifungal activity.