2-Chloro-4,5-difluorobenzoic acid - CAS 110877-64-0

Catalog:	BB002685
Product Name:	2-Chloro-4,5-difluorobenzoic acid
CAS:	110877-64-0
Synonyms:	2-chloro-4,5-difluorobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-4,5-difluorobenzoic acid
Description:	2-Chloro-4,5-difluorobenzoic acid (CAS# 110877-64-0) is a useful research chemical.
Molecular Weight:	192.55
Molecular Formula:	C7H3ClF2O2
Canonical SMILES:	C1=C(C(=CC(=C1F)F)Cl)C(=O)O
InChI:	InChI=1S/C7H3ClF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
InChI Key:	CGFMLBSNHNWJAW-UHFFFAOYSA-N
Boiling Point:	258 °C
Purity:	98 %
Density:	1.573 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00077479
LogP:	2.31640

Publication Number	Title	Priority Date
WO-2021170886-A2	Electronic device	20200806
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
CN-111647000-A	Pyrazine derivative and application thereof in inhibition of SHP2	20190304
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CN-111647000-B	Pyrazine derivative and application thereof in inhibition of SHP2	20190304

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Related Functional Groups

Carbonyl Compounds

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3,6-Difluoro-2-methylbenzoic acid

Other Pyrimidines

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[2696462-69-6]
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[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[860790-29-0]
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GHS Hazard Statement:	H302: Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P363, 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:	191.9789634
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.9789634
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4