Basic information
- CAS
84100-59-4- Standard SMILES
Cc1nc2cc(Cl)ccc2n1-c1ccccc1- InChIKey
BDYHHBOQBZEHLL-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.0610761
Names & identifiers
- Preferred name
- 5-chloro-2-methyl-1-phenyl-1H-benzimidazole
- IUPAC
- 5-chloro-2-methyl-1-phenylbenzimidazole
- English name
- 5-chloro-2-methyl-1-phenyl-1H-benzimidazole
- Molecular formula
- C14H11ClN2
- Molecular weight
- 242.7
Names & synonyms
5-Chloro-2-methyl-1-phenyl-1H-benzimidazole84100-59-4EINECS 282-139-9DTXSID60232986NSC 97074RefChem:102316DTXCID90155477282-139-95-chloro-2-methyl-1-phenylbenzimidazole5-Chloro-2-methyl-1-phenyl-1H-benzoimidazole5-CHLORO-2-METHYL-1-PHENYL-1H-BENZO[D]IMIDAZOLEBenzimidazole, 5-chloro-2-methyl-1-phenyl-
Show more names
5-chloro-2-methyl-1-phenyl-benzoimidazole1H-Benzimidazole, 5-chloro-2-methyl-1-phenyl-
NSC97074TimTec1_007113MLS000523736SCHEMBL541394CHEMBL1407958HMS1554D07HMS2378G20NSC-97074
Database identifiers
- CAS
84100-59-4- PubChem CID
- 97024
- DTXSID
DTXSID60232986- ChEMBL
CHEMBL1407958- EC Number
- 282-139-9
- Nikkaji
- J297.523H
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 84 · 84-86 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 150 · 150-160 °C(Press: 0.5 Torr)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 4.44 · 4.44±0.25(Predicted)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
1 records
Compound notes
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