2-chloro-N-(1-methylethyl)acetamide

HCID 76171

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2895-21-8
Standard SMILES: CC(C)NC(=O)CCl
InChIKey: GYPNJSBBOATUPK-UHFFFAOYSA-N
Molecular formula: C5H10ClNO
Average molar mass: 135.59 g/mol
Monoisotopic mass: 135.04509162

Names & identifiers

Preferred name: 2-chloro-N-(1-methylethyl)acetamide
IUPAC: 2-chloro-N-propan-2-ylacetamide
English name: N-Isopropyl-2-chloroacetamide
Molecular formula: C5H10ClNO
Molecular weight: 135.59

Names & synonyms

2895-21-82-Chloro-N-(1-methylethyl)acetamideAcetamide, 2-chloro-N-(1-methylethyl)-EINECS 220-775-0AI3-23574DTXSID00183145NSC 165658RefChem:469946DTXCID10105636220-775-02-Chloro-N-isopropylacetamideN-Isopropyl-2-Chloroacetamide

Show more names

AKOS USSH-4110464BUTTPARK 80\07-100OTAVA-BB BB7020410060N1-ISOPROPYL-2-CHLOROACETAMIDEN-Isopropylchloroacetamide,97%2-chloro-N-propan-2-yl-ethanamide

2-chloro-N-propan-2-ylacetamideMFCD000680342-chloro-N-(propan-2-yl)acetamideN-Isopropyl chloroacetamideN-(Chloroacetyl)isopropylamineNSC-1656582-chloro-N-(methylethyl)acetamiden-isopropylchloroacetamide

Database identifiers

CAS: 2895-21-8
PubChem CID: 76171
DTXSID: DTXSID00183145
ChEMBL: CHEMBL5412385
UNII: 3R96AG5N5W
EC Number: 220-775-0
Nikkaji: J306.819F

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 82.5

Physicochemical properties

Melting point: 58 · 58-60°C
Boiling point: 250.6 · 250.6±23.0 °C(Predicted)
Density: 1.052 · 1.052±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate, Methanol
pka: 14.08 · 14.08±0.46(Predicted)
form: Solid
color: Dark Brown
BRN: 1745034 · 1745034
InChI: InChI=1S/C5H10ClNO/c1-4(2)7-5(8)3-6/h4H,3H2,1-2H3,(H,7,8)
InChIKey: GYPNJSBBOATUPK-UHFFFAOYSA-N
SMILES: C(NC(C)C)(=O)CCl
CAS DataBase Reference: 2895 · 2895-21-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2924190090 · 2924190090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 5 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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2924190090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses2-Chloro-N-isopropylacetamide is an intermediate in synthesizing Prothoate (P838810), which can be used as analyte in analytical study of a new method of detecting multi-residue of organophosphorus pesticide.