Basic information
- CAS
869885-60-9- Standard SMILES
O=S(=O)(Cl)c1ccc2occc2c1- InChIKey
DXQKXPTYOGEXEN-UHFFFAOYSA-N- Molecular formula
- C8H5ClO3S
- Average molar mass
- 216.64 g/mol
- Monoisotopic mass
- 215.9647927
Names & identifiers
- Preferred name
- Benzofuran-5-sulfonyl chloride
- IUPAC
- 1-benzofuran-5-sulfonyl chloride
- English name
- Benzofuran-5-ylmethanesulfonyl chloride
- Molecular formula
- C8H5ClO3S
- Molecular weight
- 216.64
Names & synonyms
BENZOFURAN-5-SULFONYL CHLORIDE869885-60-91-benzofuran-5-sulfonyl chlorideMFCD11053679C8H5ClO3S5-Benzofuransulfonylchloride5-Benzofuransulfonyl chlorideSCHEMBL692366DTXSID70695124DXQKXPTYOGEXEN-UHFFFAOYSA-NBENZOFURAN-5-SULFONYLCHLORIDEAKOS006337108
Show more names
Benzofuran-5-ylmethanesulfonyl chloride
AS-37976SY258079CS-0119627EN300-233953F048260
Database identifiers
- CAS
869885-60-9- PubChem CID
- 53403186
- DTXSID
DTXSID70695124
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 322.5 · 322.5±15.0 °C(Predicted)
- Density
- 1.514 · 1.514±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- InChI
- InChI=1S/C8H5ClO3S/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
- InChIKey
- DXQKXPTYOGEXEN-UHFFFAOYSA-N
- SMILES
- O1C2=CC=C(S(Cl)(=O)=O)C=C2C=C1
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310
Safety & regulation
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers22 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
韶远科技（上海）有限公司
Related reactions
3 records
Compound notes
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