1-(2-Chloroethyl)imidazole

HCID 2757504

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Basic information

CAS: 92952-84-6
Standard SMILES: ClCCn1ccnc1
InChIKey: WQRYDDUXWFSPQG-UHFFFAOYSA-N
Molecular formula: C5H7ClN2
Average molar mass: 130.57 g/mol
Monoisotopic mass: 130.0297759

Names & identifiers

Preferred name: 1-(2-Chloroethyl)imidazole
IUPAC: 1-(2-chloroethyl)imidazole
English name: N-(2-CHLOROETHYL)-IMIDAZOLE HYDROCHLORIDE
Molecular formula: C5H7ClN2
Molecular weight: 130.58

Names & synonyms

92952-84-61-(2-chloroethyl)imidazoleDTXSID80373926RefChem:223357DTXCID803249581-(2-Chloroethyl)-1H-imidazole1-(2-chloro-ethyl)-1H-imidazoleMFCD03727254SCHEMBL647237SCHEMBL2681113SCHEMBL26660400WQRYDDUXWFSPQG-UHFFFAOYSA-N

Show more names

TIMTEC-BB SBB005584N-(2-chloroethyl)-imidazoleHCl1H-Imidazole, 1-(2-chloroethyl)-1-(2-CHLOROETHYL)IMIDAZOLE HYDROCHLORIDEN-(2-CHLOROETHYL)-IMIDAZOLE HYDROCHLORIDE1-(2-CHLOROETHYL)-1H-IMIDAZOLE HYDROCHLORIDE

ALBB-031897AKOS009016621NCGC00666108-01SY078380CS-0099622V9P

Database identifiers

CAS: 92952-84-6
PubChem CID: 2757504
DTXSID: DTXSID80373926

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 67.4

Physicochemical properties

Melting point: 108 · 108-118°C
Boiling point: 269.9 · 269.9±23.0 °C(Predicted)
Density: 1.19 · 1.19±0.1 g/cm3(Predicted)
pka: 6.65 · 6.65±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses1-(2-Chloroethyl)imidazole Hydrochloride is used in the preparation of preparation of substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors.