CAS 1514-87-0|2-Chloro-2,2-difluoro-1-methoxyethan-1-one|methyl 2-chloro-2,2-difluoroacetate|methyl 2-chloro-2,2-difluoroacetate|Methyl chloro(difluoro)acetate 99%|Methyl chlorodifluoroacetate|氯代二...

Molecular Formula

C₃H₃ClF₂O₂

Molecular Mass

144.5045264

Exact Mass

143.97896346

InChI

InChI=1S/C3H3ClF2O2/c1-8-2(7)3(4,5)6/h1H3

InChIKey

AWUPLMYXZJKHEG-UHFFFAOYSA-N

Canonic Smiles

COC(=O)C(Cl)(F)F

Isomeric Smiles

ClC(F)(F)C(=O)OC

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.2615635

LogD (pH = 7.4)

1.2615635

Log P

1.2615635

Molar Refractivity

23.2578

Polarizability

8.973061

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

73935

Synonyms

2-Chloro-2,2-difluoro-1-methoxyethan-1-oneMethyl chloro(difluoro)acetate 99%Methyl chlorodifluoroacetate氯代二氟乙酸甲酯methyl 2-chloro-2,2-difluoroacetateChlorodifluoroacetic acid methyl ester

IUPAC Traditional name

methyl 2-chloro-2,2-difluoroacetate

IUPAC name

methyl 2-chloro-2,2-difluoroacetate

CAS Number

MDL Number

Beilstein Number

PubChem SID

Physical Property

Safety Information

Highly Flammable/Corrosive/Irritant/Lachrymatory

Moisture Sensitive

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Product Information

No Data Available

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No Data Available

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Sigma Aldrich

300837

Packaging
5, 25 g in glass bottle

24285

Other Notes
Starting material for preparing trifluoromethyl iodide and diiododifluoromethane1

Apollo Scientific

PC5070

Useful trifluoromethylating agent. Trifluoromethylation ofaryl and vinyl halides: Tetrahedron Letts.,32, 7689 (1991). Nitroaryl chlorides can also be trifluoromethylated.

From Data Sources

• Convenient trifluoromethylating agent. In combination with CuI, KF and DMF, trifluoromethylation of aryl and vinyl halides is achieved via the generation of trifluoromethylcopper: Tetrahedron Lett., 32, 7689 (1991); J. Fluorine Chem., 55, 225 (1992). Similarly, nitroaryl chlorides undergo substitution to give the trifluoromethyl derivatives in high yield: J. Fluorine Chem., 66, 167 (1994).

Academic Data

PubChem

73935

Synonyms

IUPAC Traditional name

methyl 2-chloro-2,2-difluoroacetate

IUPAC name

methyl 2-chloro-2,2-difluoroacetate

CAS Number

MDL Number

Beilstein Number

PubChem SID

300837

Packaging
5, 25 g in glass bottle

24285

Other Notes
Starting material for preparing trifluoromethyl iodide and diiododifluoromethane1

Apollo Scientific

PC5070

Useful trifluoromethylating agent. Trifluoromethylation ofaryl and vinyl halides: Tetrahedron Letts.,32, 7689 (1991). Nitroaryl chlorides can also be trifluoromethylated.

From Data Sources

Physical Property

Safety Information

Highly Flammable/Corrosive/Irritant/Lachrymatory

Moisture Sensitive

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Product Information

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

European Hazard Symbols

Corrosive (C)

Flammable (F)

GHS Hazard statements

H225-H314

H225-H314-H318

RID/ADR

UN 2924 3/PG 2

Safety Statements

16-26-36/37/39-45

Packing Group

GHS Signal Word

Danger

Personal Protective Equipment

Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

GHS Precautionary statements

P210-P280-P305+P351+P338-P310

P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Hazard Class

Risk Statements

11-34-37

11-34

UN Number

2924

UN2924

German water hazard class

MSDS Link

Download link

TSCA Listed

是

Molecule

ID:98074