4-Fluoro-3-(trifluoromethyl)benzoic acid - CAS 67515-55-3

Catalog:	BB033306
Product Name:	4-Fluoro-3-(trifluoromethyl)benzoic acid
CAS:	67515-55-3
Synonyms:	4-fluoro-3-(trifluoromethyl)benzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-fluoro-3-(trifluoromethyl)benzoic acid
Description:	4-Fluoro-3-(trifluoromethyl)benzoic acid (CAS# 67515-55-3) is a useful research chemical.
Molecular Weight:	208.11
Molecular Formula:	C8H4F4O2
Canonical SMILES:	C1=CC(=C(C=C1C(=O)O)C(F)(F)F)F
InChI:	InChI=1S/C8H4F4O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14)
InChI Key:	WZBPZYCJUADXRS-UHFFFAOYSA-N
Boiling Point:	256.9 °C at 760 mmHg
Melting Point:	114-116 °C
Purity:	98 %
Density:	1.489 g/cm³
Appearance:	Powder
MDL:	MFCD00061294
LogP:	2.54270

Publication Number	Title	Priority Date
WO-2021194908-A1	Modified dipeptide cleavases, uses thereof and related kits	20200324
US-2021214701-A1	Modified cleavases, uses thereof and related kits	20190326
JP-2020147524-A	Pollen tube growth regulator	20190313
WO-2020180770-A1	Bicyclic heterocyclyl compounds and uses thereof	20190301
WO-2020157189-A1	1,2,4-triazin-6(1h)-one compounds for the treatment of hyperproliferative diseases	20190201

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Fluorinated Building Blocks

[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
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[1975118-13-8]
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline
[51516-70-2]
5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.01474201
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.01474201
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4