Methanesulfinyl chloride

HCID 548463CAS 676-85-7

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Basic information

Standard SMILES: CS(=O)Cl
InChIKey: LURSUHVHQZXABT-UHFFFAOYSA-N
Molecular formula: CH3ClOS
Average molar mass: 98.55 g/mol
Monoisotopic mass: 97.9593134

Names & identifiers

Preferred name: Methanesulfinyl chloride
IUPAC: methanesulfinyl chloride
English name: Methanesulfinylchloride
Molecular formula: CH3ClOS
Molecular weight: 98.55

Names & synonyms

Methanesulfinyl chloride676-85-7DTXSID90338329RefChem:156920DTXCID00289414820-135-6LURSUHVHQZXABT-UHFFFAOYSA-NMETHANESULFINYLCHLORIDEMFCD28118352methansulfinylchloridCH3ClOSCH3SOCl

Show more names

Methanesulfinic ChlorideMethanesulfinyl chloride (6CI,7CI,8CI,9CI)

methylsulphinyl chloridemethanesulphinyl chloridemethane sulfinyl chlorideSCHEMBL195849AAA67685EN300-182245F76240F863025

Database identifiers

CAS: 676-85-7
PubChem CID: 548463
DTXSID: DTXSID90338329
EC Number: 820-135-6
Nikkaji: J582.171A

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 36.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 4
Formal charge: 0
Complexity: 35

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Boiling point: 55 · 55-59 °C(Press: 40 Torr)
Density: 1.494 · 1.494±0.06 g/cm3(Predicted)
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 314 · H314-H226
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS02,GHS05
Hazard statements: H314-H226
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501