2-Bromo-1-(4-ethylphenyl)ethan-1-one

HCID 12401951

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Basic information

CAS: 2632-14-6
Standard SMILES: CCc1ccc(C(=O)CBr)cc1
InChIKey: XNYSPDGJBPTDDI-UHFFFAOYSA-N
Molecular formula: C10H11BrO
Average molar mass: 227.1 g/mol
Monoisotopic mass: 225.99932707

Names & identifiers

Preferred name: 2-Bromo-1-(4-ethylphenyl)ethan-1-one
IUPAC: 2-bromo-1-(4-ethylphenyl)ethanone
English name: 2-bromo-4-ethylacetophenone
Molecular formula: C10H11BrO
Molecular weight: 227.1

Names & synonyms

2632-14-62-bromo-1-(4-ethylphenyl)ethan-1-oneDTXSID80496523RefChem:256833DTXCID804473332-Bromo-1-(4-ethylphenyl)ethanoneEthanone, 2-bromo-1-(4-ethylphenyl)-MFCD00981997SCHEMBL2776629XNYSPDGJBPTDDI-UHFFFAOYSA-NCAA63214SBB040681

Show more names

2-bromo-4-ethylacetophenone

2-Bromo-1-(4-ethylphenyl)-ethanoneAKOS000210262CS-W0063391-bromo-2-(4-ethylphenyl)-2-oxoethaneAS-10144DA-16651SY1146122-bromo-1 -(4-ethylphenyl)ethan-1 -one

Database identifiers

CAS: 2632-14-6
PubChem CID: 12401951
DTXSID: DTXSID80496523
EC Number: 977-799-6
Nikkaji: J2.450.596K

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 148

Physicochemical properties

Melting point: 33 · 33-34 °C
Boiling point: 289.4 · 289.4±23.0 °C(Predicted)
Density: 1.36 · 1.360±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Appearance: Off-white to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 305 · P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.