Methyl Dichloroacetate extrapure, 99%

CAT: 0565-34428Size: 500 mLDry Ice: NoHazardous: No

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CAT#:0565-34428Size:500 mL

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Description

Part B

CAS Number

116-54-1

UN Code

UN No.: 2299, IMCO Class No.: 6.1, Packing Group: III

Storage Temperature

Room Temperature

Chemical Information

Methyl dichloroacetate

Methyl dichloroacetate appears as a colorless liquid with an ethereal odor. Combustible. Flash point 176 °F. Corrosive to metals and tissue. Used to make other chemicals.

CAS Number	116-54-1
PubChem CID	8315
IUPAC Name	methyl 2,2-dichloroacetate
Molecular Formula	C3H4Cl2O2
Molecular Weight	142.97
XLogP	1.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	71

SMILES

COC(=O)C(Cl)Cl

InChI

InChI=1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3

InChIKey

HKMLRUAPIDAGIE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 116-54-1

CID: 8315

Formula: C3H4Cl2O2

MW: 142.97

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	142.97
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	141.9588348
Monoisotopic Mass	141.9588348
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	71.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Methyl Dichloroacetate extrapure, 99%

Chemical Information

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