CAS
97478-05-2 Purity
96%
97478-05-2 Purity
96%
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(Chlorocarbonyl-difluoromethyl)-phosphonic acid diethyl ester
CAS
97480-49-4
Catalog Number
ACM97480494
Category
Other Products
Molecular Weight
250.56
Molecular Formula
C6H11F2O5P
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Specification
Synonyms
(Chlorocarbonyl-difluoromethyl)-phosphonic acid diethyl ester;(Diethoxyphosphoryl)difluoroacetic acid
IUPAC Name
2-diethoxyphosphoryl-2,2-difluoroacetylchloride
Canonical SMILES
CCOP(=O)(C(C(=O)Cl)(F)F)OCC
InChI Key
ZKYUQNZVQOGWSL-UHFFFAOYSA-N
Boiling Point
226.1ºC at 760 mmHg
Flash Point
90.5ºC
Density
1.362g/cm³
Exact Mass
249.99700
Hazard Statements
C: Corrosive;
Safety Description
26-36/37/39
What is the molecular formula of (Chlorocarbonyl-difluoromethyl)-phosphonic acid diethyl ester?
The molecular formula is C6H10ClF2O4P.
When was the compound created and last modified?
The compound was created on July 19, 2005, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is 2-diethoxyphosphoryl-2,2-difluoroacetyl chloride.
What is the InChIKey of the compound?
The InChIKey is ZKYUQNZVQOGWSL-UHFFFAOYSA-N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.5.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
What is the exact mass of the compound?
The exact mass is 249.9973298 g/mol.
How many defined atom stereocenter counts does the compound have?
The compound has 0 defined atom stereocenter counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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