2-Acetyl-3,4,5-trichlorothiophene
Basic information
- CAS
65434-11-9- Standard SMILES
CC(=O)c1sc(Cl)c(Cl)c1Cl- InChIKey
WQUPBUNZMUOHGG-UHFFFAOYSA-N- Molecular formula
- C6H3Cl3OS
- Average molar mass
- 229.5 g/mol
- Monoisotopic mass
- 227.897019
Names & identifiers
- Preferred name
- 2-Acetyl-3,4,5-trichlorothiophene
- IUPAC
- 1-(3,4,5-trichlorothiophen-2-yl)ethanone
- English name
- 1-(3,4,5-Trichlorothiophen-2-yl)ethan-1-one
- Molecular formula
- C6H3Cl3OS
- Molecular weight
- 229.51
Names & synonyms
2-Acetyl-3,4,5-trichlorothiopheneRefChem:462816660-537-71-(3,4,5-Trichlorothiophen-2-yl)ethan-1-one65434-11-91-(3,4,5-Trichlorothiophen-2-yl)ethanone95418-92-12-acetyltrichlorothiophenEthanone, 1-(3,4,5-trichloro-2-thienyl)-DTXSID80915007MFCD00093420AKOS000277816
Show more names
1-(3,4,5-trichloro-2-thienyl)ethanoneAS-94083G92143
Database identifiers
- CAS
65434-11-9、95418-92-1- PubChem CID
- 149267
- DTXSID
DTXSID80915007- EC Number
- 660-537-7
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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