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Methyl Chloroacetate extrapure, 99%

CAT: 0565-39876Size: 500 mLDry Ice: NoHazardous: No
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CAT#:0565-39876Size:500 mL
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Description
Part B
CAS Number
96-34-4
UN Code
UN No.: 2295, IMCO Class No.: 6.1, Packing Group: I
Storage Temperature
25 - 32°C

Chemical Information

Methyl chloroacetate

Methyl chloroacetate appears as a crystalline solid or a solid dissolved in a liquid. Insoluble in water and denser than water. Contact may slightly irritate skin, eyes and mucous membranes. May be slightly toxic by ingestion. Used to make other chemicals.

CAS Number96-34-4
PubChem CID7295
IUPAC Namemethyl 2-chloroacetate
Molecular FormulaC3H5ClO2
Molecular Weight108.52
XLogP0.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity52
SMILES
COC(=O)CCl
InChI
InChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3
InChIKey
QABLOFMHHSOFRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl chloroacetate
CAS: 96-34-4
CID: 7295
Formula: C3H5ClO2
MW: 108.52
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight108.52
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass107.9978071
Monoisotopic Mass107.9978071
Topological Polar Surface Area26.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity52.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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