Basic information
- CAS
50789-59-8- Standard SMILES
CC(=O)C(Cl)Cc1ccc(Cl)cc1- InChIKey
KKCOSJVILRLIBA-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2O
- Average molar mass
- 217.09 g/mol
- Monoisotopic mass
- 216.0108703
Names & identifiers
- Preferred name
- 3-Chloro-4-(4-chlorophenyl)-2-butanone
- IUPAC
- 3-chloro-4-(4-chlorophenyl)butan-2-one
- English name
- 3-Chloro-4-(4-chlorophenyl)-2-butanone
- Molecular formula
- C10H10Cl2O
- Molecular weight
- 217.09
Names & synonyms
3-chloro-4-(4-chlorophenyl)-2-butanone50789-59-8RefChem:499893653-167-2SCHEMBL1036428KKCOSJVILRLIBA-UHFFFAOYSA-NAKOS0222788162-Butanone, 3-chloro-4-(4-chlorophenyl)-
Database identifiers
- CAS
50789-59-8- PubChem CID
- 4054027
- EC Number
- 653-167-2
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Sigma-Aldrich Japan K.K.[email protected]
Related reactions
1 records
Compound notes
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