2-Bromo-6-fluorobenzoic acid - CAS 2252-37-1

Catalog:	BB017646
Product Name:	2-Bromo-6-fluorobenzoic acid
CAS:	2252-37-1
Synonyms:	2-bromo-6-fluorobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-6-fluorobenzoic acid
Description:	2-Bromo-6-fluorobenzoic acid (CAS# 2252-37-1) is a useful research chemical.
Molecular Weight:	219.01
Molecular Formula:	C7H4BrFO2
Canonical SMILES:	C1=CC(=C(C(=C1)Br)C(=O)O)F
InChI:	InChI=1S/C7H4BrFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChI Key:	MDAZJVAIZVUWDE-UHFFFAOYSA-N
Boiling Point:	286.1 ℃ at 760 mmHg
Purity:	97.0 %
Density:	1.789 g/cm³
Appearance:	Solid
MDL:	MFCD01569539
LogP:	2.28640

Publication Number	Title	Priority Date
WO-2021191680-A1	Aptamers that bind thiamine analogs and derivatives	20200324
CN-113087700-A	Spirocyclic tetrahydroquinazolines	20200108
US-2021230174-A1	Spirocyclic tetrahydroquinazolines	20200108
WO-2021139748-A1	Spirocyclic tetrahydroquinazolines	20200108
KR-102293986-B1	Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containg the same as an active ingredient	20191030

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Related Functional Groups

Carbonyl Compounds

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2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[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

Fluorinated Building Blocks

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[1795420-51-7]
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[1169993-37-6]
5-Cyclopropyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole
[132182-92-4]
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-

Other Pyrimidines

[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[246847-98-3]
2-Amino-5-chloro-3-fluoropyridine
[932236-53-8]
3-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine
[113583-35-0]
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

GHS Hazard Statement:	H301 (95.12%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501
Signal Word:	Danger

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.93787
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.93787
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3