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Dichloromethyl Methyl Ether

CAT: 0572-TRC-D435440-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-D435440-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4885-02-3
Synonyms
1,1-Dichlorodimethyl Ether; 1,1-Dichloromethyl Methyl Ether; Chloromyl; Dichloromethoxymethane; Dichloromethyl Methyl Ether; Methoxydichloromethane; Methyl alpha,alpha-dichloromethyl Ether; NSC 91480; alpha,alpha-Dichloromethyl Methyl Ether
Hazard Statement
Flammable liquid and vapour; UN number: UN1992; Packing Group: III
Smiles
COC(Cl)Cl
Molecular Formula
C2H4Cl2O
Molecular Weight
114.96
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methane, dichloromethoxy-
CAS Number4885-02-3
PubChem CID21004
IUPAC Namedichloro(methoxy)methane
Molecular FormulaC2H4Cl2O
Molecular Weight114.96
XLogP1.5
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity21
SMILES
COC(Cl)Cl
InChI
InChI=1S/C2H4Cl2O/c1-5-2(3)4/h2H,1H3
InChIKey
GRTGGSXWHGKRSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methane, dichloromethoxy-
CAS: 4885-02-3
CID: 21004
Formula: C2H4Cl2O
MW: 114.96
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.96
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass113.9639201
Monoisotopic Mass113.9639201
Topological Polar Surface Area9.2 Ų
Heavy Atom Count5
Formal Charge0
Complexity21.6
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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