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Ethoxyoxalyl Chloride

CAT: 0572-TRC-E892460-25GSize: 25 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-E892460-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4755-77-5
Synonyms
Chlorooxoacetic Acid Ethyl Ester; Chloroglyoxylic Acid Ethyl Ester; 1-(Chlorocarbonyl)formic Acid Ethyl Ester; Ethoxalyl Chloride; Ethyl (Chlorocarbonyl)carboxylate; Ethyl (Chloroformyl)formate; Ethyl 2-Chloro-2-oxoacetate; Ethyl 2-Chloro-2-oxoethanoate; Ethyl Chloroglyoxylate; Ethyl Chlorooxalate; Ethyl Chlorooxoacetate; Ethyl Oxaloyl Chloride; Ethyl Oxalyl Chloride; Monoethyl Oxalate Chloride; Monoethyl Oxalate Monochloride; Monoethyl Oxaloyl Chloride; NSC 80644; Oxalic Acid Chloride Ethyl Ester; Oxalic Acid Ethyl Ester Chloride; Oxalic Acid Monoethyl Ester Chloride; Oxalic Acid Monoethyl Ester Monochloride; Oxalyl Chloride Ethyl Ester
Hazard Statement
Flammable liquid and vapour; UN number: UN2920; Packing Group: II
Smiles
CCOC(=O)C(=O)Cl
Molecular Formula
C4H5ClO3
Molecular Weight
136.53
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Ethoxalyl chloride

structure in first source

CAS Number4755-77-5
PubChem CID20884
IUPAC Nameethyl 2-chloro-2-oxoacetate
Molecular FormulaC4H5ClO3
Molecular Weight136.53
XLogP1.4
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity110
SMILES
CCOC(=O)C(=O)Cl
InChI
InChI=1S/C4H5ClO3/c1-2-8-4(7)3(5)6/h2H2,1H3
InChIKey
OWZFULPEVHKEKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethoxalyl chloride
CAS: 4755-77-5
CID: 20884
Formula: C4H5ClO3
MW: 136.53
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.53
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass135.9927217
Monoisotopic Mass135.9927217
Topological Polar Surface Area43.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity110
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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