3-Hydroxy-2,4,5-trifluorobenzoic acid - CAS 116751-24-7

Catalog:	BB003810
Product Name:	3-Hydroxy-2,4,5-trifluorobenzoic acid
CAS:	116751-24-7
Synonyms:	2,4,5-trifluoro-3-hydroxybenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2,4,5-trifluoro-3-hydroxybenzoic acid
Description:	2,4,5-Trifluoro-3-hydroxybenzoic Acid can be used to prepare quinoline derivatives as Antibacterial Agents.
Molecular Weight:	192.09
Molecular Formula:	C7H3F3O3
Canonical SMILES:	C1=C(C(=C(C(=C1F)F)O)F)C(=O)O
InChI:	InChI=1S/C7H3F3O3/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1,11H,(H,12,13)
InChI Key:	YYAFUGSJSHXYNK-UHFFFAOYSA-N
Boiling Point:	292.6 ℃ at 760 mmHg
Melting Point:	144-145 ℃
Purity:	98 %
Density:	1.699 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00800378
LogP:	1.50770

Publication Number	Title	Priority Date
CN-111635307-A	Synthesis method of 2,4, 5-trifluoro-3-methoxybenzoyl chloride	20200525
CN-111662172-A	Process for preparing 2,4, 5-trifluoro-3-methoxybenzoic acid by one-pot method	20200525
CN-110357816-A	A kind of synthetic method of gatifloxacin cyclized ester	20190808
CN-111253241-A	Preparation method of 2,4, 5-trifluoro-3-methoxybenzoyl chloride and intermediate thereof	20181130
CN-103450013-A	Industrial preparation method of 2,4,5-trifluoro-3-methoxybenzoyl chloride	20130830

PMID	Publication Date	Title	Journal
22199603	20111201	Diaqua-bis-(4,4'-bipyridine-κN)bis-(2,4,5-trifluoro-3-hy-droxy-benzoato-κO)manganese(II)	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[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
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[1597-32-6]
2-Amino-6-fluoropyridine

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1597-32-6]
2-Amino-6-fluoropyridine
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine
[246847-98-3]
2-Amino-5-chloro-3-fluoropyridine
[45867-11-6]
2-Amino-5-chloro-4-pyrimidinecarboxylic acid

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:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.00342844
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	192.00342844
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4