1-(4-Bromo-3-methylphenyl)ethanone

HCID 347124CAS 37074-40-1

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)c1ccc(Br)c(C)c1
InChIKey: QRTFRIPKQPOIPI-UHFFFAOYSA-N
Molecular formula: C9H9BrO
Average molar mass: 213.07 g/mol
Monoisotopic mass: 211.98367701

Names & identifiers

Preferred name: 1-(4-Bromo-3-methylphenyl)ethanone
IUPAC: 1-(4-bromo-3-methylphenyl)ethanone
English name: 4'-Bromo-3'-methylacetophenone
Molecular formula: C9H9BrO
Molecular weight: 213.07

Names & synonyms

1-(4-bromo-3-methylphenyl)ethanoneDTXSID70324063RefChem:424922DTXCID50275180864-619-537074-40-14'-bromo-3'-methylacetophenone1-(4-bromo-3-methylphenyl)ethan-1-oneMFCD00045017NSC405623Ethanone, 1-(4-bromo-3-methylphenyl)-SCHEMBL588574

Show more names

Fluralaner Impurity 293-Methyl-4-bromoacetophenoneNSC 405623Fluralaner-0034-Bromo-3-methylacetophenone4-bromo-3-methylbenzenethylone

SCHEMBL29784872QRTFRIPKQPOIPI-UHFFFAOYSA-N1-(4-bromo-3-methyl-phenyl)ethanoneAKOS000299252FB70251NSC-4056231-(4-bromo-3-methyl-phenyl)-ethanone4'-Bromo-3'-methylacetophenone, 75%

Database identifiers

CAS: 37074-40-1
PubChem CID: 347124
DTXSID: DTXSID70324063
EC Number: 864-619-5

Properties

Computed structural properties

XLogP: 3.3
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: 156

Physicochemical properties

Melting point: 31 · 31-32 °C
Boiling point: 157 · 157-159 °C(Press: 19 Torr)
Density: 1.388 · 1.388±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: fused solid
color: Pale lemon
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 271 · P271-P260-P280
HS Code: 2914390090 · 2914390090

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)

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2914390090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P271-P260-P280

Chemistry & industry

Applications

Uses4'-Bromo-3'-methylacetophenone is a versatile building block that is used in the synthesis of many complex compounds. It can be used as a reactant, reagent, or speciality chemical.