2-Bromo-3,4-difluorobenzoic Acid - CAS 170108-05-1

Name: 2-Bromo-3,4-difluorobenzoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012611
Product Name:	2-Bromo-3,4-difluorobenzoic Acid
CAS:	170108-05-1
Synonyms:	2-bromo-3,4-difluorobenzoic acid; 2-bromo-3,4-difluorobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-3,4-difluorobenzoic acid
Description:	2-Bromo-3,4-difluorobenzoic Acid (CAS# 170108-05-1) is a useful research chemical.
Molecular Weight:	237.00
Molecular Formula:	C7H3BrF2O2
Canonical SMILES:	C1=CC(=C(C(=C1C(=O)O)Br)F)F
InChI:	InChI=1S/C7H3BrF2O2/c8-5-3(7(11)12)1-2-4(9)6(5)10/h1-2H,(H,11,12)
InChI Key:	SPVFFPDJYPMULI-UHFFFAOYSA-N
Boiling Point:	292.9 °C at 760 mmHg
Density:	1.872 g/cm³
Appearance:	Solid
LogP:	2.42550

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112138427-A	Preparation method of polysubstituted fluorine-containing bromophenol benzoic acid	20200915
WO-2021127356-A1	Substituted Bicyclic and Tricyclic Ureas and Amides, Analogues Thereof, and Methods Using Same	20191220
EP-3822268-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
WO-2021094436-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
US-2020048242-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases	20180809

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.92845
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	235.92845
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3