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2-chloro-1,1-dimethoxy-Ethane

CAT: 0572-TRC-C068010-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-C068010-10GSize:10 g
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CAS Number
97-97-2
Synonyms
chloro-Acetaldehyde dimethyl acetal; 2-Chloro-1,1-dimethoxyethane; 1,1-Dimethoxy-2-chloroethane; 1-Chloro-2,2-dimethoxyethane; 2,2-Dimethoxyethyl chloride; 2-Chloroacetaldehyde dimethyl acetal; Chloroacetaldehyde dimethyl acetal; NSC 60388
Hazard Statement
Flammable liquid and vapour; UN number: UN1989; Packing Group: III
Smiles
COC(CCl)OC
Molecular Formula
C4H9ClO2
Molecular Weight
124.57
Shipping Conditions
Room Temperature

Chemical Information

2-Chloro-1,1-dimethoxyethane
CAS Number97-97-2
PubChem CID60986
IUPAC Name2-chloro-1,1-dimethoxyethane
Molecular FormulaC4H9ClO2
Molecular Weight124.56
XLogP0.7
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity36
SMILES
COC(CCl)OC
InChI
InChI=1S/C4H9ClO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3
InChIKey
CRZJPEIBPQWDGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-1,1-dimethoxyethane
CAS: 97-97-2
CID: 60986
Formula: C4H9ClO2
MW: 124.56
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight124.56
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass124.0291072
Monoisotopic Mass124.0291072
Topological Polar Surface Area18.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity36.7
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