1-[(2-Bromoethyl)sulfanyl]ethan-1-one
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Basic information
- CAS
927-70-8- Standard SMILES
CC(=O)SCCBr- InChIKey
NYHLAZJBJZRGPV-UHFFFAOYSA-N- Molecular formula
- C4H7BrOS
- Average molar mass
- 183.07 g/mol
- Monoisotopic mass
- 181.9401
Names & identifiers
- Preferred name
- 1-[(2-Bromoethyl)sulfanyl]ethan-1-one
- IUPAC
- S-(2-bromoethyl) ethanethioate
- English name
- Ethanethioic acid, S-(2-bromoethyl) ester
- Molecular formula
- C4H7BrOS
- Molecular weight
- 183.07
Names & synonyms
S-(2-bromoethyl) ethanethioate1-[(2-bromoethyl)sulfanyl]ethan-1-one1-((2-bromoethyl)sulfanyl)ethan-1-oneRefChem:418284842-935-4927-70-8Ethanethioic acid, S-(2-bromoethyl) esterMFCD03005229S-acetyl-2-bromoethanethiolS-bromoethyl thioacetateAcetic acid, thio-, S-2-bromoethyl ester2-acetylthioethyl bromide
Show more names
Bromoethyl thioacetate
S-(2-bromoethyl) thioacetateSCHEMBL2256202DTXSID40335141NYHLAZJBJZRGPV-UHFFFAOYSA-NAS-95298SY208069CS-0458095EN300-248743
Database identifiers
- CAS
927-70-8- PubChem CID
- 523036
- DTXSID
DTXSID40335141- EC Number
- 842-935-4
- Nikkaji
- J2.942.924C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 64.7
Physicochemical properties
- Boiling point
- 78 °C · 78 °C(Press: 10 Torr)
- Density
- 1.533 g/cm3 · 1.5330 g/cm3(Temp: 19 °C)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
5 records
Compound notes
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