4-(Methanesulfonyl)benzoyl chloride

HCID 11276013

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Basic information

CAS: 40913-92-6
Standard SMILES: CS(=O)(=O)c1ccc(C(=O)Cl)cc1
InChIKey: IPEIDGXNXFPGBG-UHFFFAOYSA-N
Molecular formula: C8H7ClO3S
Average molar mass: 218.66 g/mol
Monoisotopic mass: 217.98044276

Names & identifiers

Preferred name: 4-(Methanesulfonyl)benzoyl chloride
IUPAC: 4-methylsulfonylbenzoyl chloride
English name: 4-(Methylsulfonyl)benzoyl chloride
Molecular formula: C8H7ClO3S
Molecular weight: 218.66

Names & synonyms

4-(Methanesulfonyl)benzoyl chloride40913-92-64-methylsulfonylbenzoyl Chloride4-(methylsulphonyl)benzoyl chloride4-methanesulfonylbenzoyl chlorideBenzoyl chloride, 4-(methylsulfonyl)-MFCD111696464-(methylsulfonyl)benzoyl chlorideDTXSID20460905SCHEMBL599583p-Methylsulfonyl-benzoyl Chloride4-methanesulfonyl-benzoyl chloride

Show more names

4-(Methylsulfonyl)benzoyl chloride ISO 9001：2015 REACH

IPEIDGXNXFPGBG-UHFFFAOYSA-N4-(Methanesulfonyl)benzoylchlorideAKOS009217953FS-5856SY361792DB-348821E86021F038115

Database identifiers

CAS: 40913-92-6
PubChem CID: 11276013
DTXSID: DTXSID20460905

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 59.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 283

Physicochemical properties

form: solid
color: Off-white
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
HS Code: 2930909899 · 2930909899

Safety & regulation

Safety data

hs_code: 2930909899
Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314-H318
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501