CAS 2757-23-5 (Chlorothio)formyl chloride (HCID 75990)

Names & identifiers

Preferred name: (Chlorothio)formyl chloride
IUPAC: S-chloro chloromethanethioate
English name: Chlorocarbonylsulfenyl chloride
Molecular formula: CCl2OS
Molecular weight: 130.98

Names & synonyms

2757-23-5(Chlorothio)formyl chlorideEINECS 220-415-2DTXSID10181970RefChem:406022DTXCID50104461220-415-2Chlorocarbonylsulfenyl chlorideS-chloro chloromethanethioatechloro(chlorosulfanyl)methanoneChlorocarbonyl sulphenyl chlorideCarbonochloridothioic acid, anhydrosulfide with thiohypochlorous acid (9CI)

Show more names

Chloroformylthio chlorideCTFCCHLOROTHIOFORMYL CHLORIDEChlorocarbonylthio chloride(Chloroformyl)sulfur chlorideChloroformyl thiohypochloriteChloroformylsulphenyl chlorideChloroarbonylsulfenyl chloride

MFCD00000703Chlorocarbonylsulfenylchloridechlorocarbonylsulphenyl chloridechlorocarbonyl sulfenyl chloridecarbonochloridic hypochlorous thioanhydrideChloroformylsulfenyl chlorideCarbonochloridothioic acid, anhydrosulfide with thiohypochlorous acidCCl2OS

Database identifiers

CAS: 2757-23-5
PubChem CID: 75990
DTXSID: DTXSID10181970
EC Number: 220-415-2
Nikkaji: J208.247K

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 44

Physicochemical properties

Boiling point: 98 °C · 98 °C (lit.)
Density: 1.552 g/mL · 1.552 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.517(lit.)
Flash point: 98 · 98-101°C
storage temp.: 2 · 2-8°C
solubility: Acetonitrile (Slightly), Chloroform (Sparingly)
form: Liquid, Fuming In Moist Air
color: Yellow
Sensitive: Moisture Sensitive
BRN: 506318 · 506318
Stability: Moisture Sensitive
InChI: InChI=1S/CCl2OS/c2-1(4)5-3
InChIKey: MNOALXGAYUJNKX-UHFFFAOYSA-N
SMILES: C(=O)(Cl)SCl
CAS DataBase Reference: 2757 · 2757-23-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-37
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
F: 9 · 9-13-21
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29309090 · 29309090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

Safety data

F: 9-13-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29309090
risk_code: 34-37
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications · 1 item

UsesChlorocarbonylsulfenyl chloride has been used in the preparation of:5-(1,2,3,4-tetra-O-acetyl-alpha-D-xylopyranos-5S-C-yl)-1,3,4-oxathiazol-2-onefluorinated oxathialonespolyfluoroalkylchlorothioformateschlorocarbonylpolyfluoroalkylsulfenate esterschlorocarbonylhexafluoroisopropylidenimino sulfenate5-tri-fluoromethyl-2-oxo-1,3,4-oxathiazolecommercially important N,N-dialkylcarbamoyl chlorides