2-((2-Chloroethyl)thio)ethanol
Basic information
- CAS
693-30-1- Standard SMILES
OCCSCCCl- InChIKey
ZGFPMAMREQRRRB-UHFFFAOYSA-N- Molecular formula
- C4H9ClOS
- Average molar mass
- 140.63 g/mol
- Monoisotopic mass
- 140.0062638
Names & identifiers
- Preferred name
- 2-((2-Chloroethyl)thio)ethanol
- IUPAC
- 2-(2-chloroethylsulfanyl)ethanol
- English name
- 2-HYDROXYETHYL-2-CHLOROETHYLSULPHIDE
- Molecular formula
- C4H9ClOS
- Molecular weight
- 140.63
Names & synonyms
Half mustard gasHemisulfur mustard2-((2-CHLOROETHYL)THIO)ETHANOL693-30-1semi-mustard gassemisulfur mustardUNII-X99B866STVBRN 1697572X99B866STVNSC-300242-Chloroethyl-2'-hydroxyethyl sulfideHEMISULFUR MUSTARD [MI]
Show more names
Mustard chlorohydrinHEMISULPHURMUSTARDHalf sulfur mustardETHANOL,2-((2-CHLOROETHYL)THIO)-2-HYDROXYETHYL-2-CHLOROETHYLSULPHIDE2-Hydroxyethyl(2-chloroethyl) sulfide
DTXSID002193522-Chloro-2'-hydroxydiethylsulfide4-01-00-02430 (Beilstein Handbook Reference)2-Chloroethyl 2'-hydroxyethyl sulfide.BETA.-CHLOROETHYL .BETA.-HYDROXYETHYL THIOETHERRefChem:83665DTXCID20141843BETA-CHLOROETHYL BETA-HYDROXYETHYL THIOETHER
Database identifiers
- CAS
693-30-1- PubChem CID
- 12737
- DTXSID
DTXSID00219352- UNII
- X99B866STV
- EC Number
- 845-176-7
- Nikkaji
- J53.963E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 34.9
Physicochemical properties
- Boiling point
- 0.6 · bp0.6 100° (Fuson); bp0.5-0.75 87°; bp6 44.5° (Rueggeberg)
- Density
- 1.126 · 1.126 (estimate)
- refractive index
- 20 · nD20 1.5188; nD24.5 1.5205
- pka
- 14.44 · 14.44±0.10(Predicted)
- FDA UNII
- 99 B866STV · X99B866STV
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS06
- Signal word
- Danger
- Hazard statements
- 341 · H341-H311-H361-H335-H331-H319-H315-H351-H301-H371
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P201-P202-P281-P308+P313-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P201-P202-P281-P308+P313-P405-P501-P260-P264-P270-P309+P311-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P201-P202-P281-P308+P313-P405-P501
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P308+P316, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, 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 CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07,GHS06
- Hazard statements
- H341-H311-H361-H335-H331-H319-H315-H351-H301-H371
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P201-P202-P281-P308+P313-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P201-P202-P281-P308+P313-P405-P501-P260-P264-P270-P309+P311-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P201-P202-P281-P308+P313-P405-P501
Suppliers
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Related reactions
2 records
Compound notes
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