2-(2-Bromo-4-methylphenoxy)acetophenone

HCID 4077236

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Basic information

CAS: 63188-78-3
Standard SMILES: Cc1ccc(OCC(=O)c2ccccc2)c(Br)c1
InChIKey: BTISHSOIFDWYLH-UHFFFAOYSA-N
Molecular formula: C15H13BrO2
Average molar mass: 305.17 g/mol
Monoisotopic mass: 304.00989176

Names & identifiers

Preferred name: 2-(2-Bromo-4-methylphenoxy)acetophenone
IUPAC: 2-(2-bromo-4-methylphenoxy)-1-phenylethanone

Names & synonyms

2-(2-BROMO-4-METHYLPHENOXY)ACETOPHENONE63188-78-3DTXSID00399082RefChem:250437DTXCID00349941666-105-42-(2-bromo-4-methylphenoxy)-1-phenylethan-1-oneSCHEMBL11555227BTISHSOIFDWYLH-UHFFFAOYSA-NAKOS008903558alpha-(2-bromo-4-methylphenoxy)acetophenone

Database identifiers

CAS: 63188-78-3
PubChem CID: 4077236
DTXSID: DTXSID00399082
EC Number: 666-105-4

Properties

Computed structural propertiesFilling in

XLogP: 4.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 274

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, 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.