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
WO-2020177653-A1	Pyrazine derivative and application thereof in inhibiting shp2	20190304
CN-111647000-B	Pyrazine derivative and application thereof in inhibition of SHP2	20190304

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[5310-68-9]
4-Chlorophenylsulphur pentafluoride

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine
[77776-68-2]
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[113583-35-0]
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine
[672-45-7]
6-(Trifluoromethyl)uracil

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