4'-(Bromomethyl)acetophenone - CAS 51229-51-7

Name: 4'-(Bromomethyl)acetophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027376
Product Name:	4'-(Bromomethyl)acetophenone
CAS:	51229-51-7
Synonyms:	1-[4-(bromomethyl)phenyl]ethanone; 1-[4-(bromomethyl)phenyl]ethanone

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Computed Properties

IUPAC Name:	1-[4-(bromomethyl)phenyl]ethanone
Description:	4'-(Bromomethyl)acetophenone (CAS# 51229-51-7) is useful in the synthesis of series of dihydropyrimidine and thiopyrimidine derivatives as antiviral agents.
Molecular Weight:	213.07
Molecular Formula:	C9H9BrO
Canonical SMILES:	CC(=O)C1=CC=C(C=C1)CBr
InChI:	InChI=1S/C9H9BrO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,6H2,1H3
InChI Key:	HARITLZHGNEHDS-UHFFFAOYSA-N
Boiling Point:	291.4 °C at 760 mmHg
Density:	1.416 g/cm³
MDL:	MFCD10001463
LogP:	2.78410

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[104496-91-5]C7H9N3OS
2-(Pyridin-2-ylthio)acetohydrazide
[17432-37-0]C11H14O
2,3,5,6-Tetramethylbenzaldehyde

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-111533721-A	Benzopyrone or quinolinone compounds and application thereof	20200515
US-2021061802-A1	Substituted pyridopyrimidinonyl compounds useful as t cell activators	20190828
WO-2021041588-A1	Substituted pyridopyrimidinonyl compounds useful as t cell activators	20190828
US-2020399271-A1	Xanthine analogs as potent anti-west nile viral agents	20190620
WO-2020152361-A1	Carbamate derivatives and uses thereof	20190125

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.98368
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	211.98368
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3