2-Propanone, 1-bromo-1-phenyl-

HCID 90870

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Basic information

CAS: 23022-83-5
Standard SMILES: CC(=O)C(Br)c1ccccc1
InChIKey: LHMXBAUNIRFZCP-UHFFFAOYSA-N
Molecular formula: C9H9BrO
Average molar mass: 213.07 g/mol
Monoisotopic mass: 211.98368

Names & identifiers

Preferred name: 2-Propanone, 1-bromo-1-phenyl-
IUPAC: 1-bromo-1-phenylpropan-2-one
English name: 1-Bromo-1-phenyl-2-propanone
Molecular formula: C9H9BrO
Molecular weight: 213.07

Names & synonyms

23022-83-51-Bromo-1-phenyl-2-propanone2-Propanone, 1-bromo-1-phenyl-DTXSID10885224RefChem:89180DTXCID8010246171-bromo-1-phenylpropan-2-one1-bromo-1-phenylacetone1-bromo-1-phenyl-propan-2-oneMFCD06658524160189-81-1bromophenylacetone

Show more names

bromoethylphenylketoneBromophenylethylketone1-bromo-1phenyl-2-propanone1-bromo-1-phenyl-2-propanon

Bromo-3-phenylacetone1-bromo-1-phenyl-acetoneSCHEMBL2573939AKOS015841086SB35639AS-30417DB-005696EN300-251332

Database identifiers

CAS: 23022-83-5
PubChem CID: 90870
DTXSID: DTXSID10885224
EC Number: 844-890-6
Nikkaji: J403.375B

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Boiling point: 122 · 122-123 °C(Press: 5 Torr)
Density: 1.4514 g/cm3 · 1.4514 g/cm3(Temp: 15.1 °C)
EPA Substance Registry System: 2 · 2-Propanone, 1-bromo-1-phenyl- (23022-83-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302-H335-H315-H227
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P210-P280-P370+P378-P403+P235-P501
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, 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.；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 CategoriesFlam. Liq. 4 (50%)；Acute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H302-H335-H315-H227
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P210-P280-P370+P378-P403+P235-P501