N-(2-Chloroethyl)acetamide

HCID 81815CAS 7355-58-0

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Basic information

Standard SMILES: CC(=O)NCCCl
InChIKey: HSKNJSHFPPHTAQ-UHFFFAOYSA-N
Molecular formula: C4H8ClNO
Average molar mass: 121.56 g/mol
Monoisotopic mass: 121.02944156

Names & identifiers

Preferred name: N-(2-Chloroethyl)acetamide
IUPAC: N-(2-chloroethyl)acetamide
English name: N-(2-Chloroethyl)acetamide
Molecular formula: C4H8ClNO
Molecular weight: 121.57

Names & synonyms

N-(2-Chloroethyl)acetamide7355-58-0Acetamide, N-(2-chloroethyl)-EINECS 230-884-5NSC 30247BRN 1743108AI3-08685DTXSID902237464-04-00-00449 (Beilstein Handbook Reference)RefChem:161712DTXCID20146237230-884-5

Show more names

SKL863TIMTEC-BB SBB0081652-Chloroethyl acetamideN-(Chloroethyl)acetamiden-(2-chloroethyl)-acetamidN-(2-Chloroethyl)acetamide-97%

HSKNJSHFPPHTAQ-UHFFFAOYSA-NInChI=1/C4H8ClNO/c1-4(7)6-3-2-5/h2-3H2,1H3,(H,6,7MFCD00000965N-(2-Chloro-ethyl)-acetamideN-Acetyl-2-chloroethylamineN-(2-chloroethyl)-acetamideSCHEMBL295312NSC-30247

Database identifiers

CAS: 7355-58-0
PubChem CID: 81815
DTXSID: DTXSID90223746
UNII: WK3AHS3R95
EC Number: 230-884-5
Nikkaji: J54.060I

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 64.7

Physicochemical properties

Boiling point: 85 °C · 85°C 1,5mm
Density: 1.2 · 1.2
refractive index: 1.477 · 1.477-1.48
Flash point: 110 °C · 110 °C
storage temp.: 2 · 2-8°C
pka: 15.5 · 15.50±0.46(Predicted)
form: Viscous Liquid
Specific Gravity: 1.18 · 1.18
color: Clear colorless to slightly yellow
BRN: 1743108 · 1743108
CAS DataBase Reference: 7355 · 7355-58-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 264 · P264-P270-P301+P310-P405-P501
Hazard Codes: Xn,T
Risk Statements: 33 · 33-25
Safety Statements: 24 · 24/25-45
RTECS: 5460000 · AB5460000
HS Code: 29241900 · 29241900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (22.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.