2,2-Difluoro-1-methylcyclopropanecarboxylic acid - CAS 128073-33-6

Name: 2,2-Difluoro-1-methylcyclopropanecarboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB006870
Product Name:	2,2-Difluoro-1-methylcyclopropanecarboxylic acid
CAS:	128073-33-6
Synonyms:	2,2-difluoro-1-methylcyclopropane-1-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,2-difluoro-1-methylcyclopropane-1-carboxylic acid
Description:	2,2-Difluoro-1-methylcyclopropanecarboxylic acid (CAS# 128073-33-6) is used to prepare and chlorinate cycloprpanecarboxylic acid.
Molecular Weight:	136.10
Molecular Formula:	C5H6F2O2
Canonical SMILES:	CC1(CC1(F)F)C(=O)O
InChI:	InChI=1S/C5H6F2O2/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9)
InChI Key:	HLFLYOQLHYYNLT-UHFFFAOYSA-N
Purity:	95 %
Appearance:	Solid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD07777163
LogP:	1.11630

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate

GHS Hazard Statement:	H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-112654605-A	Bridged heterocyclic group substituted pyrimidine compound and preparation method and medical application thereof	20190809
WO-2021027647-A1	Bridged heterocyclyl-substituted pyrimidine compound, preparation method therefor, and pharmaceutical use thereof	20190809
WO-2020223536-A1	Substituted cyclolakyls as modulators of the integrated stress pathway	20190430
TW-202106671-A	Modulators of the integrated stress pathway	20190430
CA-3080968-A1	Modulators of the integrated stress pathway	20171102

Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.03358575
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	136.03358575
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9