Basic information
- CAS
108662-49-3- Standard SMILES
Fc1ccc2nc(Cl)[nH]c2c1- InChIKey
UZIXQYXXJBMILL-UHFFFAOYSA-N- Molecular formula
- C7H4ClFN2
- Average molar mass
- 170.57 g/mol
- Monoisotopic mass
- 170.004704
Names & identifiers
- Preferred name
- 2-Chloro-5-fluorobenzimidazole
- IUPAC
- 2-chloro-6-fluoro-1H-benzimidazole
- English name
- 2-Chloro-5-fluorobenzimidazole
- Molecular formula
- C7H4ClFN2
- Molecular weight
- 170.57
Names & synonyms
108662-49-32-Chloro-5-fluorobenzimidazole2-Chloro-6-fluoro-1H-benzo[d]imidazole2-Chloro-6-fluoro-1H-benzimidazoleMFCD084579672-chloro-5-fluoro-1H-benzo[d]imidazole2-CHLORO-5-FLUORO-1H-BENZIMIDAZOLE1H-Benzimidazole,2-chloro-6-fluoro2-chloro-6-fluorobenzimidazole2-chloro-6-fluoro-1H-1,3-benzodiazole1H-BENZIMIDAZOLE, 2-CHLORO-5-FLUORO-2-chloro-6-fluor
Show more names
1H-Benzimidazole, 2-chloro-6-fluoro-2-chloro-5-fluoro-1H-1,3-benzodiazole1H-Benzimidazole,2-chloro-5-fluoro-(9CI)
SCHEMBL1747974SCHEMBL1747975DTXSID50469466UZIXQYXXJBMILL-UHFFFAOYSA-NALBB-032042SBB054582AKOS006288745AKOS024198717
Database identifiers
- CAS
108662-49-3- PubChem CID
- 11615253
- DTXSID
DTXSID50469466- Nikkaji
- J2.647.705K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 332.9 · 332.9±34.0 °C(Predicted)
- Density
- 1.533 · 1.533±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 7.86 · 7.86±0.10(Predicted)
- Appearance
- Off-white to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers58 total
韶远科技(上海)有限公司4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [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]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
Related reactions
8 records
Compound notes
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