α-Bromo-4-fluorophenylacetic acid - CAS 29270-33-5

Catalog:	BB020160
Product Name:	α-Bromo-4-fluorophenylacetic acid
CAS:	29270-33-5
Synonyms:	2-bromo-2-(4-fluorophenyl)acetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-2-(4-fluorophenyl)acetic acid
Description:	α-Bromo-4-fluorophenylacetic acid (CAS# 29270-33-5 ) is a useful research chemical.
Molecular Weight:	233.03
Molecular Formula:	C8H6BrFO2
Canonical SMILES:	C1=CC(=CC=C1C(C(=O)O)Br)F
InChI:	InChI=1S/C8H6BrFO2/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7H,(H,11,12)
InChI Key:	ATILMAUMZRFROS-UHFFFAOYSA-N
Boiling Point:	288.2 °C at 760 mmHg
Density:	1.725 g/cm³
LogP:	2.34630

Publication Number	Title	Priority Date
US-2021061802-A1	Substituted pyridopyrimidinonyl compounds useful as t cell activators	20190828
WO-2021041588-A1	Substituted pyridopyrimidinonyl compounds useful as t cell activators	20190828
CN-108079938-A	There is the PERFORMANCE OF MODIFIED VERMICULITE adsorbent of absorption property to the orthophosphates in water body	20171225
CA-3075812-A1	Antiviral compounds	20171005
WO-2019068841-A1	ANTIVIRAL COMPOUNDS	20171005

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

Other Pyrimidines

[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[452-76-6]
2,4-Difluorotoluene
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline

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:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.95352
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	231.95352
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4