S-(3-Chloropropyl) ethanethioate

HCID 83044

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Basic information

CAS: 13012-54-9
Standard SMILES: CC(=O)SCCCCl
InChIKey: IOLUCUQNAZTKMN-UHFFFAOYSA-N
Molecular formula: C5H9ClOS
Average molar mass: 152.646 g/mol
Monoisotopic mass: 152.00626359

Names & identifiers

Preferred name: S-(3-Chloropropyl) ethanethioate
IUPAC: S-(3-Chloropropyl) ethanethioate
English name: 3-Chloropropyl thioacetate
Molecular formula: C5H9ClOS
Molecular weight: 152.64

Names & synonyms

3-Chloropropyl thioacetate3-CHLOROPROPYL THIOLACETATE3-CHLOROPROPANETHIOL ACETATE3-CHLOROPROPYL THIOLACETATE, TECH.3-CHLOROPROPYL THIOACETATE TECH 90+%3-Chloropropyl thioacetate, 90%, tech3-Chloropropyl thioacetate, tech., 90%Thioacetic acid S-(3-chloropropyl) ester3-CHLOROPROPYL THIOLACETATE, TECH., 90+%Ethanethioic acid, S-(3-chloropropyl) ester

Database identifiers

CAS: 13012-54-9
PubChem CID: 83044
DTXSID: DTXSID10926606
EC Number: 235-865-5
Nikkaji: J317.766A

Properties

Physicochemical properties

Boiling point: 83 · 83-84 °C/10 mmHg (lit.)
Density: 1.159 g/mL · 1.159 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.495(lit.)
Flash point: 172 °F · 172 °F
form: liquid
InChI: 1S/C5H9ClOS/c1-5(7)8-4-2-3-6/h2-4H2,1H3
InChIKey: IOLUCUQNAZTKMN-UHFFFAOYSA-N
SMILES: CC(=O)SCCCCl
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H227-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P210-P280-P370+P378-P403+P235-P501
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-20/21
Safety Statements: 36 · 36/37/39-26
RIDADR: 2810 · UN 2810 6.1/PG 3
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
Storage Class: 10 · 10 - Combustible liquids
Limited Quantities: 100 ml · 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

Safety data

wgk: 3
ridadr: UN 2810 6.1/PG 3
risk_code: 36/37/38-20/21
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 36/37/39-26
hazard_class: 6.1
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H335-H227-H319
Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P210-P280-P370+P378-P403+P235-P501