1-Bromo-3-phenyl-2-propanone - CAS 20772-12-7

Catalog:	BB016271
Product Name:	1-Bromo-3-phenyl-2-propanone
CAS:	20772-12-7
Synonyms:	1-bromo-3-phenyl-2-propanone; 1-bromo-3-phenylpropan-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-3-phenylpropan-2-one
Description:	1-Bromo-3-phenyl-2-propanone, can be used as an intermediate in the synthesis of a variety of pharmaceutical agents such as tyrosine kinase inhibitors and antiangiogenic agents.
Molecular Weight:	213.07
Molecular Formula:	C9H9BrO
Canonical SMILES:	C1=CC=C(C=C1)CC(=O)CBr
InChI:	InChI=1S/C9H9BrO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:	CIFGSVFCDAILNK-UHFFFAOYSA-N
Boiling Point:	270.941 °C at 760 mmHg
Density:	1.429 g/cm³
LogP:	2.19310

Publication Number	Title	Priority Date
WO-2020249957-A1	Compounds for treating respiratory disease	20190612
WO-2020051564-A1	Polycyclic compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides	20180907
AU-2019335516-A1	Polycyclic compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides	20180907
CN-113164775-A	Polycyclic compounds and methods for rapid accelerated targeted degradation of fibrosarcoma polypeptides	20180907
EP-3846907-A1	Polycyclic compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides	20180907

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	128
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:	3
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2