Trimethyloxosulphonium chloride

HCID 197819CAS 5034-06-0

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Basic information

Standard SMILES: C[S+](C)(C)=O.[Cl-]
InChIKey: KQYWHJICYXXDSQ-UHFFFAOYSA-M
Molecular formula: C3H9ClOS
Average molar mass: 128.62 g/mol
Monoisotopic mass: 128.00626359

Names & identifiers

Preferred name: Trimethyloxosulphonium chloride
English name: Trimethylsulfoxonium chloride
Molecular formula: C3H9ClOS
Molecular weight: 128.62

Names & synonyms

Trimethyloxosulphonium chlorideRefChem:899882225-724-6Trimethylsulfoxonium chloride5034-06-0Trimethyloxosulfonium chlorideSulfoxonium, trimethyl-, chlorideTrimethylsulfonium chloride oxidetrimethyl sulfoxonium chlorideEINECS 225-724-6MFCD00011898Sulfonium, trimethyl-, chloride, S-oxide

Show more names

TriMethyl sulfoxide chloridetrimethyloxosulfoniumchlorideoride, S-oxidefonium, trimethyLtrimethyl-sulfoxoniuchloriderimethylsulfoxonium chlorideTrimethyloxosulfonium chloridex

NSC-221182SCHEMBL50536AKOS015898768CS-0097768T3794NSC 221182Trimethylsulphoxonium chlorideSulfoniu

Database identifiers

CAS: 5034-06-0
PubChem CID: 197819
DTXSID: DTXSID401370484
UNII: KV8UUA9PBU
EC Number: 225-724-6

Properties

Computed structural properties

Topological polar surface area: 18.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 53

Physicochemical properties

Melting point: 226 · 226-229 °C (lit.)
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Sparingly), Methanol (Slightly, Sonicated), Water (Sparingly)
form: Solid
color: White to Off-White
BRN: 4549927 · 4549927
Stability: Hygroscopic
InChI: InChI=1S/C3H9OS.ClH/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1
InChIKey: KQYWHJICYXXDSQ-UHFFFAOYSA-M
SMILES: [S+](=O)(C)(C)C.[Cl-]
FDA UNII: 8 UUA9PBU · KV8UUA9PBU
UNSPSC Code: 12352101 · 12352101
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 8680000 · WR8680000
F: 3 · 3-10
HS Code: 29309099 · 29309099
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 12% (6 of 50) of reports.

Warning

H315 (88%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.