CAS 2633-50-3 2-Bromo-1-(3,4-dimethylphenyl)ethan-1-one (HCID 3703113)

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Basic information

CAS: 2633-50-3
Standard SMILES: Cc1ccc(C(=O)CBr)cc1C
InChIKey: LTCYMNSEASALNB-UHFFFAOYSA-N
Molecular formula: C10H11BrO
Average molar mass: 227.1 g/mol
Monoisotopic mass: 225.99932707

Names & identifiers

Preferred name: 2-Bromo-1-(3,4-dimethylphenyl)ethan-1-one
IUPAC: 2-bromo-1-(3,4-dimethylphenyl)ethanone
English name: 2-Bromo-1-(3,4-dimethyl-phenyl)-ethanone
Molecular formula: C10H11BrO
Molecular weight: 227.1

Names & synonyms

2-Bromo-1-(3,4-dimethylphenyl)ethan-1-oneRefChem:465902824-357-42633-50-32-bromo-1-(3,4-dimethylphenyl)ethanone2-Bromo-1-(3,4-dimethyl-phenyl)-ethanoneMFCD004608602-bromo-3',4'-dimethylacetophenoneEthanone, 2-bromo-1-(3,4-dimethylphenyl)-Enamine_0051573,4-dimethyl-phenacylbromide3,4-dimethylphenacyl bromide

Show more names

3,4-dimethyl phenacyl bromide3,4-dimethyl-phenacyl bromideSCHEMBL1726590SCHEMBL30187429DTXSID20395263LTCYMNSEASALNB-UHFFFAOYSA-NHMS1408K09CAA63350

Database identifiers

CAS: 2633-50-3
PubChem CID: 3703113
DTXSID: DTXSID20395263
EC Number: 824-357-4

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 167

Physicochemical properties

Melting point: 65 °C · 65 °C
Boiling point: 292.6 · 292.6±25.0 °C(Predicted)
Density: 1.362 · 1.362±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 280 · P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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.