Basic information
- CAS
1019-85-8- Standard SMILES
Clc1ccc(-c2nc3ccccc3[nH]2)cc1- InChIKey
PTXUJRTVWRYYTE-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2
- Average molar mass
- 228.67 g/mol
- Monoisotopic mass
- 228.04542597
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)benzimidazole
- IUPAC
- 2-(4-chlorophenyl)-1H-benzimidazole
- English name
- 2-(4-Chlorophenyl)benzimidazole
- Molecular formula
- C13H9ClN2
- Molecular weight
- 228.68
Names & synonyms
1019-85-82-(4-Chlorophenyl)benzimidazoleDTXSID90353951RefChem:1061221DTXCID703050142-(4-chlorophenyl)-1H-benzimidazole2-(4-chlorophenyl)-1H-benzo[d]imidazole1H-Benzimidazole, 2-(4-chlorophenyl)-2-(4-Chlorophenyl)-1H-benzoimidazoleMFCD002243592-(4-CHLOROPHENYL)-1H-1,3-BENZODIAZOLE2-(4-Chloro-phenyl)-1H-benzoimidazole
Show more names
2-(4-Chlorophenyl)benzimidazole >2-(4-Chlorophenyl)-1H-benzoimidazole1H-BenziMidazole, 2-(4-chlorophenyl)-BenziMidazole, 2-(p-chlorophenyl)- (6CI,7CI,8CI)
SCHEMBL197619SCHEMBL695531SCHEMBL699592CHEMBL473163SCHEMBL9033788PTXUJRTVWRYYTE-UHFFFAOYSA-NHMS5169G01ALBB-028056
Database identifiers
- CAS
1019-85-8- PubChem CID
- 759417
- DTXSID
DTXSID90353951- ChEMBL
CHEMBL473163- EC Number
- 802-413-9
- Nikkaji
- J570.082E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 303 °C · 303 °C
- Boiling point
- 419 · 419.0±47.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 11.24 · 11.24±0.10(Predicted)
- color
- White to Light yellow to Light orange
- HS Code
- 2933.29 · 2933.29.4300
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- hs_code
- 2933.29.4300
Chemistry & industry
Applications
Uses2-(4-Chlorophenyl)-1H-benzo[d]imidazole has been used as a reactant in the synthesis of benzylsulfanyl((phenylbenzimidazolyl)methyl)oxadiazoles with antioxidant activity.
Suppliers51 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉贺景行生物科技有限公司027-13277920701 13277920701 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
4 records
Compound notes
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