Basic information
- CAS
7192-00-9- Standard SMILES
ClCc1nc2ccccc2n1Cc1ccccc1- InChIKey
AIEZSIAPQGBFRC-UHFFFAOYSA-N- Molecular formula
- C15H13ClN2
- Average molar mass
- 256.73 g/mol
- Monoisotopic mass
- 256.0767261
Names & identifiers
- Preferred name
- 1-Benzyl-2-chloromethyl-1H-benzoimidazole
- IUPAC
- 1-benzyl-2-(chloromethyl)benzimidazole
- English name
- 1-Benzyl-2-chloromethyl-1H-benzoimidazole
- Molecular formula
- C15H13ClN2
- Molecular weight
- 256.73
Names & synonyms
1-Benzyl-2-chloromethyl-1H-benzoimidazole7192-00-9DTXSID90340306RefChem:227948DTXCID702913871-Benzyl-2-(chloromethyl)-1H-benzo[d]imidazole1-benzyl-2-(chloromethyl)benzimidazole1-Benzyl-2-(chloromethyl)-1H-benzimidazole1-BENZYL-2-(CHLOROMETHYL)-1H-1,3-BENZODIAZOLEMLS001212596SMR0005153052-(chloromethyl)-1-benzylbenzimidazole
Show more names
TIMTEC-BB SBB0120152-(chloromethyl)-1-(phenylmethyl)benzimidazole1H-Benzimidazole, 2-(chloromethyl)-1-(phenylmethyl)-
MFCD01163836SCHEMBL103530cid_563436CHEMBL1308830BDBM53073HMS2827C041-benzyl-2-chloromethylbenzimidazoleSBB012015
Database identifiers
- CAS
7192-00-9- PubChem CID
- 563436
- DTXSID
DTXSID90340306- ChEMBL
CHEMBL1308830- Nikkaji
- J2.904.700F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 111 °C · 111 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 443.7 · 443.7±38.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 4.43 · 4.43±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
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合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
7 records
Compound notes
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