Epithiochlorohydrin

HCID 18588

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Basic information

CAS: 3221-15-6
Standard SMILES: ClCC1CS1
InChIKey: XRWMHJJHPQTTLQ-UHFFFAOYSA-N
Molecular formula: C3H5ClS
Average molar mass: 108.59 g/mol
Monoisotopic mass: 107.98004884

Names & identifiers

Preferred name: Epithiochlorohydrin
IUPAC: 2-(chloromethyl)thiirane
English name: EPITHIOCHLORHYDRIN
Molecular formula: C3H5ClS
Molecular weight: 108.59

Names & synonyms

2-(Chloromethyl)thiirane3221-15-6EPITHIOCHLOROHYDRINThioepichlorohydrin(Chloromethyl)thiirane3-Chloropropylene sulfideThioepichlorhydrinChloropropylene sulfide2-Thiiranylmethyl chlorideThiirane, (chloromethyl)-1-Chloro-2,3-epithiopropaneChloropropylene sulphide

Show more names

EPITHIOCHLORHYDRINthioepichlorohydrineepithiochlorohydrinechloromethyl-thiirane2-chloromethyl-thiiranchloropropylenesulfidechloropropylenesulphide

2-(Chloromethyl)ethylene sulfidePropane, 1-chloro-2,3-epithio-3-Chloropropene sulfideThiirane, 2-(chloromethyl)-Thiirane, 2-chloromethyl-NSC 36644BRN 01024665N825YLR9Q

Database identifiers

CAS: 3221-15-6
PubChem CID: 18588
DTXSID: DTXSID701031297
UNII: 5N825YLR9Q
EC Number: 807-683-1
Nikkaji: J50.727J

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 37.9

Physicochemical properties

Boiling point: 69 · 69-70 °C (67 mmHg)
Density: 1.1565 · 1.1565 (estimate)
refractive index: 1.524 · 1.524-1.528
storage temp.: 0 · 0-6°C
form: Liquid
color: Clear colorless to light yellow
FDA UNII: 5 N825YLR9Q · 5N825YLR9Q
Symbol(GHS): 7 · GHS07,GHS05,GHS06
Signal word: Danger
Hazard statements: 317 · H317-H311-H314-H331-H300
Precautionary statements: 280 · P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501
Hazard Codes: T
Risk Statements: 43 · 43-34-23/24/25
Safety Statements: 45 · 45-38-36/37/39-28A-26-24
HS Code: 29309099 · 29309099

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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

hs_code: 29309099
risk_code: 43-34-23/24/25
Signal word: Danger
Symbol(GHS): GHS07,GHS05,GHS06
hazard_code: T
safety_code: 45-38-36/37/39-28A-26-24
Hazard statements: H317-H311-H314-H331-H300
Precautionary statements: P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501