2-Chloro-4,5-dihydroimidazole

HCID 236236
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Basic information

CAS
54255-11-7
Standard SMILES
ClC1=NCCN1
InChIKey
BFYRXCWLDJORHM-UHFFFAOYSA-N
Molecular formula
C3H5ClN2
Average molar mass
104.54 g/mol
Monoisotopic mass
104.01412584

Overview

structure in first source

Names & identifiers

Preferred name
2-Chloro-4,5-dihydroimidazole
IUPAC
2-chloro-4,5-dihydro-1H-imidazole
English name
1H-IMidazole, 2-chloro-4,5-dihydro-
Molecular formula
C3H5ClN2
Molecular weight
104.54

Names & synonyms

2-chloro-4,5-dihydroimidazoleRefChem:2586242-chloro-4,5-dihydro-imidazole2-chloro-4,5-dihydro-1H-imidazole54255-11-72-chloro-2-imidazoline1H-Imidazole, 2-chloro-4,5-dihydro-NSC384562-chloro-imidazoline4,5,9,13-PyrenetetroneSCHEMBL2040179SCHEMBL2040181
Show more names
SCHEMBL2044575SCHEMBL2045332SCHEMBL2045334SCHEMBL2279405DTXSID10284697BFYRXCWLDJORHM-UHFFFAOYSA-NMFCD18450302NSC-38456

Database identifiers

CAS
54255-11-7
PubChem CID
236236
DTXSID
DTXSID10284697
Nikkaji
J328.966D

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
24.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
6

Physicochemical properties

Boiling point
141.4 · 141.4±23.0 °C(Predicted)
Density
1.48 · 1.48±0.1 g/cm3(Predicted)
pka
7.19 · 7.19±0.40(Predicted)

Chemistry & industry

Suppliers3 total

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

25 records
New reaction record

Compound notes

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