2-Bromo-4,5-difluorobenzoic acid - CAS 64695-84-7

Catalog:	BB032539
Product Name:	2-Bromo-4,5-difluorobenzoic acid
CAS:	64695-84-7
Synonyms:	2-bromo-4,5-difluorobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-4,5-difluorobenzoic acid
Description:	2-Bromo-4,5-difluorobenzoic acid (CAS# 64695-84-7) is a useful research chemical.
Molecular Weight:	237.00
Molecular Formula:	C7H3BrF2O2
Canonical SMILES:	C1=C(C(=CC(=C1F)F)Br)C(=O)O
InChI:	InChI=1S/C7H3BrF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
InChI Key:	DGCBGBZYTNTZJH-UHFFFAOYSA-N
Boiling Point:	291.3 °C at 760 mmHg
Melting Point:	118-122 °C (lit.)
Purity:	98 %
Density:	1.872 g/cm³
Appearance:	White to yellow crystalline powder
MDL:	MFCD04973422
LogP:	2.42550

Publication Number	Title	Priority Date
WO-2021119753-A1	Compounds	20191218
US-10800770-B1	Chroman derivatives having estrogen receptor degradation activity and uses thereof	20191212
EP-3835298-A1	Novel chroman derivatives having estrogen receptor degradation activity and uses thereof	20191212
US-2021221802-A1	Novel chroman derivatives having estrogen receptor degradation activity and uses thereof	20191212
WO-2021118629-A1	Novel chroman derivatives having estrogen receptor degradation activity and uses thereof	20191212

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Fluorinated Building Blocks

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide
[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[452-76-6]
2,4-Difluorotoluene
[1597-32-6]
2-Amino-6-fluoropyridine
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one

GHS Hazard Statement:	H301 (88.37%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

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