1h-Benzimidazole-6-sulfonyl chloride
Basic information
- CAS
1094350-38-5- Standard SMILES
O=S(=O)(Cl)c1ccc2nc[nH]c2c1- InChIKey
JNMLTUHOYVRGHB-UHFFFAOYSA-N- Molecular formula
- C7H5ClN2O2S
- Average molar mass
- 216.65 g/mol
- Monoisotopic mass
- 215.9760263
Names & identifiers
- Preferred name
- 1h-Benzimidazole-6-sulfonyl chloride
- IUPAC
- 3H-benzimidazole-5-sulfonyl chloride
- English name
- 1H-benzimidazole-5-sulfonyl chloride(SALTDATA: HCl)
- Molecular formula
- C7H5ClN2O2S
- Molecular weight
- 216.64
Names & synonyms
1094350-38-51h-benzimidazole-6-sulfonyl chloride1H-Benzo[d]imidazole-6-sulfonyl chloride1H-benzimidazole-5-sulfonyl chloride3H-benzimidazole-5-sulfonyl chlorideMFCD112074821H-1,3-Benzodiazole-5-sulfonyl chlorideSCHEMBL4429284SCHEMBL4429286SCHEMBL27603491DTXSID40655215GS3102
Show more names
1H-benzimidazole-5-sulfonyl chloride(SALTDATA: HCl)
AKOS005264410AKOS0221850071H-Benzo[d]imidazole-6-sulfonylchlorideDA-156321H-1,3-Benzimidazole-6-sulfonyl chlorideCS-0270707EN300-271772
Database identifiers
- CAS
1094350-38-5- PubChem CID
- 42614799
- DTXSID
DTXSID40655215
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Boiling point
- 497.8 · 497.8±18.0 °C(Predicted)
- Density
- 1.644 · 1.644±0.06 g/cm3(Predicted)
- pka
- 7.3 · 7.30±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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