1-(4-Chlorobenzyl)-1H-benzimidazole
Basic information
- CAS
107456-42-8- Standard SMILES
Clc1ccc(Cn2cnc3ccccc32)cc1- InChIKey
UFLCBIQQTOCIHZ-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.0610761
Names & identifiers
- Preferred name
- 1-(4-Chlorobenzyl)-1H-benzimidazole
- IUPAC
- 1-[(4-chlorophenyl)methyl]benzimidazole
- English name
- 1-(4-chlorobenzyl)-1H-benzo[d]imidazole
- Molecular formula
- C14H11ClN2
- Molecular weight
- 242.7
Names & synonyms
1-(4-chlorobenzyl)-1H-benzimidazoleRefChem:425183658-700-2107456-42-81-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazole1-[(4-chlorophenyl)methyl]benzimidazole1-(4-chlorobenzyl)-1H-benzo[d]imidazole1-(4-chlorobenzyl)benzimidazoleCHEMBL14448731-(4-Chloro-benzyl)-1H-benzoimidazoleMLS000718927SCHEMBL944723
Show more names
1H-Benzimidazole, 1-[(4-chlorophenyl)methyl]-
SCHEMBL14042406DTXSID801324114HMS2726L03BDBM50335358EBC-06033STL019912[(4-chlorophenyl)methyl]benzimidazoleAKOS000399672
Database identifiers
- CAS
107456-42-8- PubChem CID
- 853038
- DTXSID
DTXSID801324114- ChEMBL
CHEMBL1444873- EC Number
- 658-700-2
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Experimental & physicochemical properties
Solubility27 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 78 · 78-79 °C(Solv: methanol (67-56-1))
- Boiling point
- 417.3 · 417.3±47.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 4.88 · 4.88±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H302-H315-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H302-H315-H318
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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