α,α,p-Tribromoacetophenone - CAS 13195-79-4

Catalog:	BB007524
Product Name:	α,α,p-Tribromoacetophenone
CAS:	13195-79-4
Synonyms:	2,2-dibromo-1-(4-bromophenyl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	2,2-dibromo-1-(4-bromophenyl)ethanone
Description:	α,α,p-Tribromoacetophenone (CAS# 13195-79-4) is a useful research chemical.
Molecular Weight:	356.84
Molecular Formula:	C8H5Br3O
Canonical SMILES:	C1=CC(=CC=C1C(=O)C(Br)Br)Br
InChI:	InChI=1S/C8H5Br3O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H
InChI Key:	KFTUNOVZJWIKFX-UHFFFAOYSA-N
Boiling Point:	333.6 °C at 760 mmHg
Density:	2.177 g/cm³
Solubility:	Insoluble in water
Appearance:	White crystalline powder
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00017858
LogP:	3.74770

Publication Number	Title	Priority Date
CN-111925338-A	Microwave preparation method of 2, 4-disubstituted oxazole compound	20200831
WO-2019123176-A1	Polymeric substrates with attached thiocarbonylthio-containing groups	20171220
WO-2019123177-A1	Polymeric substrates with attached polymeric chains	20171220
EP-3728424-A1	Polymeric substrates with attached thiocarbonylthio-containing groups	20171220
EP-3728425-A1	Polymeric substrates with attached polymeric chains	20171220

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Related Functional Groups

Carbonyl Compounds

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[253429-30-0]
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[2168559-63-3]
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[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	355.78700
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	353.78905
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1