CAS 252561-81-2 1-(4-Bromo-2-chlorophenyl)ethan-1-one (HCID 15560950)

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Basic information

CAS: 252561-81-2
Standard SMILES: CC(=O)c1ccc(Br)cc1Cl
InChIKey: QYKIWOVJASCUBH-UHFFFAOYSA-N
Molecular formula: C8H6BrClO
Average molar mass: 233.49 g/mol
Monoisotopic mass: 231.92905459

Names & identifiers

Preferred name: 1-(4-Bromo-2-chlorophenyl)ethan-1-one
IUPAC: 1-(4-bromo-2-chlorophenyl)ethanone
English name: 2-Chloro-4-bromoacetophenone
Molecular formula: C8H6BrClO
Molecular weight: 233.49

Names & synonyms

252561-81-21-(4-bromo-2-chlorophenyl)ethanone1-(4-bromo-2-chlorophenyl)ethan-1-oneDTXSID10574181RefChem:424867DTXCID00524953607-673-52'-CHLORO-4'-BROMOACETOPHENONE4'-Bromo-2'-chloroacetophenone2-chloro-4-bromoacetophenoneMFCD07781036Ethanone, 1-(4-bromo-2-chlorophenyl)-

Show more names

-Chloro-4’-bromoacetophenone4-Bromo-6-chloroacetophenone4’-Bromo-2’-chloroacetophenone2-CHLORO-4-BROMOACETOPHENONE 99+%2'-Chloro-4'-bromoacetophenone 97%

SCHEMBL3324231-(4-bromo-2-chloro-phenyl)ethanoneSCHEMBL1097151SCHEMBL26613877SCHEMBL29533520QYKIWOVJASCUBH-UHFFFAOYSA-N1-(4-bromo-2-chlorophenyl)-ethanoneAKOS015890345

Database identifiers

CAS: 252561-81-2
PubChem CID: 15560950
DTXSID: DTXSID10574181
EC Number: 607-673-5

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 160

Physicochemical properties

Boiling point: 265.6 · 265.6±25.0 °C(Predicted)
Density: 1.566 · 1.566±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
HS Code: 2914790090 · 2914790090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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.