2-Bromo-4'-methylpropiophenone - CAS 1451-82-7

Catalog:	BB009898
Product Name:	2-Bromo-4'-methylpropiophenone
CAS:	1451-82-7
Synonyms:	2-bromo-1-(4-methylphenyl)-1-propanone; 2-bromo-1-(4-methylphenyl)propan-1-one

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-1-(4-methylphenyl)propan-1-one
Description:	2-Bromo-4'-methylpropiophenone (CAS# 1451-82-7) is a compound useful in organic synthesis.
Molecular Weight:	227.10
Molecular Formula:	C10H11BrO
Canonical SMILES:	CC1=CC=C(C=C1)C(=O)C(C)Br
InChI:	InChI=1S/C10H11BrO/c1-7-3-5-9(6-4-7)10(12)8(2)11/h3-6,8H,1-2H3
InChI Key:	OZLUPIIIHOOPNQ-UHFFFAOYSA-N
Boiling Point:	273 °C
Melting Point:	75-77°C
Flash Point:	59°C
Density:	1.357 g/cm³
Appearance:	Off-white solid
MDL:	MFCD11131402
LogP:	2.96110

Publication Number	Title	Priority Date
CN-111377814-A	Preparation method of Î± -acyloxyketone compound	20200310
EP-3838967-A1	Immobilization of phenolic compounds	20191216
WO-2021122859-A1	Immobilization of phenolic compounds	20191216
CN-108863740-B	Preparation method of naphthalenone compound	20180613
US-2020348320-A1	Cathinone test	20171115

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.99933
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.99933
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2