Basic information
- CAS
4926-65-2- Standard SMILES
Clc1ccc2nc(-c3ccccc3)[nH]c2c1.O- InChIKey
OEQLKXIDRFCBML-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0559907
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 5-chloro-2-phenyl-, hydrate
- IUPAC
- 6-chloro-2-phenyl-1H-benzimidazole;hydrate
- English name
- 1H-Benzimidazole, 6-chloro-2-phenyl-
- Molecular formula
- C13H9ClN2
- Molecular weight
- 228.68
Names & synonyms
1H-BENZIMIDAZOLE, 5-CHLORO-2-PHENYL-, HYDRATE5-Chloro-2-phenyl-1H-benzimidazole hydrateDTXSID40197746RefChem:237543DTXCID001202376-chloro-2-phenyl-1H-benzimidazole;hydrate6-Chloro-2-phenyl-1H-1,3-benzimidazole--water (1/1)5-Chloro-2-phenyl-1H-benzimidazole5-Chloro-2-phenylbenziMidazole, 95%1H-Benzimidazole, 6-chloro-2-phenyl-5-chloro-2-phenyl-1H-1,3-benzodiazole5-CHLORO-2-PHENYL-1H-BENZO[D]IMIDAZOLE
Show more names
6-chloro-2-phenyl-1H-benzo[d]iMidazole1H-BenziMidazole, 6-chloro-2-phenyl-1H-BenziMidazole, 5-chloro-2-phenyl- (9CI)
Database identifiers
- CAS
4926-65-2- PubChem CID
- 21040
- DTXSID
DTXSID40197746
Properties
Computed structural properties
- Topological polar surface area
- 29.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 285 °C · 285 °C
- Boiling point
- 427 · 427.0±37.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- pka
- 9.72 · 9.72±0.10(Predicted)
Chemistry & industry
Suppliers12 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
上海合寰化工科技有限公司18621911604 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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