Trichloromethanesulphinyl chloride
Basic information
- CAS
25004-95-9- Standard SMILES
O=S(Cl)C(Cl)(Cl)Cl- InChIKey
XUDFWSSAMJVVCP-UHFFFAOYSA-N- Molecular formula
- CCl4OS
- Average molar mass
- 201.9 g/mol
- Monoisotopic mass
- 199.842397
Names & identifiers
- Preferred name
- Trichloromethanesulphinyl chloride
- IUPAC
- trichloromethanesulfinyl chloride
- English name
- Trichloromethanesulfinyl chloride
- Molecular formula
- CCl4OS
- Molecular weight
- 201.89
Names & synonyms
Trichloromethanesulphinyl chlorideEINECS 246-558-0RefChem:899234246-558-0Trichloromethanesulfinyl chloride25004-95-9Methanesulfinyl chloride, 1,1,1-trichloro-SCHEMBL2749480DTXSID20947867XUDFWSSAMJVVCP-UHFFFAOYSA-NDB-309452NS00050226
Database identifiers
- CAS
25004-95-9- PubChem CID
- 90680
- DTXSID
DTXSID20947867- EC Number
- 246-558-0
- Nikkaji
- J286.438J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 84.2
Physicochemical properties
- Boiling point
- 38 · 38-40 °C2 mm Hg(lit.)
- Density
- 1.75 g/mL · 1.750 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.541
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 310 · H310-H314-H300-H330
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazard Codes
- T+,C
- Risk Statements
- 26 · 26/27/28-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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 CategoriesAcute Tox. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- risk_code
- 26/27/28-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T+,C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H310-H314-H300-H330
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Applications
UsesTrichloromethanesulfinyl Chloride is used as a reactant in one-pot synthesis of allenecarboxylates.
Suppliers
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Related reactions
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Compound notes
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