Basic information
- CAS
19275-82-2- Standard SMILES
CC(Cl)c1nc2ccccc2[nH]1- InChIKey
FJBWNZYXAJCPKV-UHFFFAOYSA-N- Molecular formula
- C9H9ClN2
- Average molar mass
- 180.63 g/mol
- Monoisotopic mass
- 180.04542597
Names & identifiers
- Preferred name
- 2-(1-Chloro-ethyl)-1H-benzoimidazole
- IUPAC
- 2-(1-chloroethyl)-1H-benzimidazole
- English name
- 1H-Benzimidazole,2-(1-chloroethyl)-(9CI)
- Molecular formula
- C9H9ClN2
- Molecular weight
- 180.63
Names & synonyms
19275-82-22-(1-Chloro-ethyl)-1H-benzoimidazole2-(1-chloroethyl)-1H-benzimidazole2-(1-chloroethyl)-1H-benzo[d]imidazole2-(1-chloroethyl)-1H-1,3-benzodiazole2-(1-chloroethyl)-1H-benzimidazole hydrochloride1H-Benzimidazole,2-(1-chloroethyl)-(9CI)2-(chloroethyl)benzimidazole1H-benzimidazole, 2-(1-chloroethyl)-, hydrochlorideSCHEMBL1048060DTXSID30402199FJBWNZYXAJCPKV-UHFFFAOYSA-N
Show more names
1H-Benzimidazole, 2-(1-chloroethyl)-2-(1-chloroethyl)-1H-benzo[d]imidazole hydrochloride
ALBB-025295BBL009917MFCD00629007SBB0274932-(1-Chloro-ethyl)-1H-benzimidazoleAKOS000301739AKOS017258653VS-02254
Database identifiers
- CAS
19275-82-2- PubChem CID
- 4347286
- DTXSID
DTXSID30402199
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 134 · 134-136 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 357 · 357.0±25.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- pka
- 11.2 · 11.20±0.10(Predicted)
Chemistry & industry
Suppliers3 total
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
5 records
Compound notes
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