Basic information
- CAS
58009-85-1- Standard SMILES
O=C(CCl)CCCc1ccccc1- InChIKey
IFRMRRXXJMQATO-UHFFFAOYSA-N- Molecular formula
- C11H13ClO
- Average molar mass
- 196.67 g/mol
- Monoisotopic mass
- 196.06549272
Names & identifiers
- Preferred name
- 1-Chloro-5-phenylpentan-2-one
- IUPAC
- 1-chloro-5-phenylpentan-2-one
Names & synonyms
1-CHLORO-5-PHENYLPENTAN-2-ONE58009-85-1DTXSID60501088RefChem:229510DTXCID20451898848-513-61-chloro-2-oxo-5-phenylpentanebenzylethyl chloromethyl ketoneSCHEMBL8187637SCHEMBL11428044IFRMRRXXJMQATO-UHFFFAOYSA-NICA00985
Show more names
AKOS017529196EN300-749583Z1262478900
Database identifiers
- CAS
58009-85-1- PubChem CID
- 12517697
- DTXSID
DTXSID60501088- EC Number
- 848-513-6
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 150
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)
Related reactions
6 records
Compound notes
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