N-Benzyl-2-chloroacetamide (HCID 96233)

Names & identifiers

Preferred name: N-Benzyl-2-chloroacetamide
IUPAC: N-benzyl-2-chloroacetamide
English name: N-Benzyl-2-chloroacetamide
Molecular formula: C9H10ClNO
Molecular weight: 183.63

Names & synonyms

N-Benzyl-2-chloroacetamide2564-06-9N-BenzylchloroacetamideN-ChloroacetylbenzylamineN1-Benzyl-2-chloroacetamideCCRIS 1828NSC 60743BRN 2091813AI3-23530DTXSID901803254-12-00-02230 (Beilstein Handbook Reference)RefChem:162933

Show more names

NSC60743AKOS B029210ZINC00028344A2573/0109715531995_ALDRICHEnamine_005418

DTXCID00102816813-125-8SRAXAXHQMCQHSH-UHFFFAOYSA-N2-Chloro-N-benzylacetamideAcetamide, 2-chloro-N-(phenylmethyl)-2-Chloro-N-(phenylmethyl)acetamideMFCD00084929N-(Chloroacetyl)benzylamine

Database identifiers

CAS: 2564-06-9
PubChem CID: 96233
DTXSID: DTXSID90180325
ChEMBL: CHEMBL3244845
UNII: M5UFZ99J55
EC Number: 813-125-8
Nikkaji: J443.955D

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 143

Physicochemical properties

Melting point: 93 · 93-96 °C (lit.)
Boiling point: 367.5 · 367.5±35.0 °C(Predicted)
Density: 1.1661 g/cm3 · 1.1661 g/cm3
storage temp.: 2 · Storage temp. 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 14.25 · 14.25±0.46(Predicted)
color: Pale Beige
InChI: 1S/C9H10ClNO/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChIKey: SRAXAXHQMCQHSH-UHFFFAOYSA-N
SMILES: ClCC(=O)NCc1ccccc1
CAS DataBase Reference: 2564 · 2564-06-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
WGK Germany: 3 · 3
RTECS: 4546570 · AB4546570
HazardClass: IRRITANT
HS Code: 2924297099 · 2924297099
Storage Class: 13 · 13 - Non Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
rtecs: AB4546570
hs_code: 2924297099
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Storage Class: 13 - Non Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 3 items

Uses2-Chloro-N-benzylacetamide may be used in the preparation of: 2-[4-(Aryl substituted) piperazin-1-yl]-N-benzylacetamides by reacting with corresponding arylpiperazines.N-Methylacetamide and N-benzylacetamide by reacting with di-tert-butyl 1,4,7-triazacyclononane-1,4-diacetate.bis[N-Benzyl-2-(quinolin-8-yl-oxy)acetamide] monohydrate by reacting with 8-hydroxyquinoline.N-Benzyl-2-(1H-imidazol-1-yl)acetamide by reacting with imidazole.

UsesN-Benzyl-2-chloroacetamide can be nerve rehabilitation effect for treating cerebral apoplexy.

General Description2-Chloro-N-benzylacetamide can be prepared by reacting benzylamine and chloroacetylchloride.