Basic information
- CAS
7042-60-6- Standard SMILES
O=C1CCCN1C(O)C(Cl)(Cl)Cl- InChIKey
KUAALAAHYIVINN-UHFFFAOYSA-N- Molecular formula
- C6H8Cl3NO2
- Average molar mass
- 232.5 g/mol
- Monoisotopic mass
- 230.962062
Names & identifiers
- Preferred name
- 1-(2,2,2-Trichloro-1-hydroxy-ethyl)-pyrrolidin-2-one
- IUPAC
- 1-(2,2,2-trichloro-1-hydroxyethyl)pyrrolidin-2-one
- English name
- 1-(2,2,2-trichloro-1-hydroxyethyl)pyrrolidin-2-one
- Molecular formula
- C6H8Cl3NO2
- Molecular weight
- 232.49222
Names & synonyms
1-(2,2,2-TRICHLORO-1-HYDROXY-ETHYL)-PYRROLIDIN-2-ONERefChem:4201167042-60-6651-237-71-(2,2,2-trichloro-1-hydroxyethyl)pyrrolidin-2-oneSTK751311AKOS001591299AKOS016294592ST4017202SR-01000078272SR-01000078272-1
Database identifiers
- CAS
7042-60-6- PubChem CID
- 3942004
- EC Number
- 651-237-7
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- 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
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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