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Bis(2,4-dichlorophenyl) Chlorophosphate

CAT: 0572-TRC-B426215-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-B426215-10GSize:10 g
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CAS Number
14254-41-2
Synonyms
Phosphorochloridic Acid Bis(2,4-dichlorophenyl) Ester; Bis(2,4-dichlorophenol) Phosphorochloridate; Bis(2,4-dichlorophenyl) Phosphorochloridate;
Hazard Statement
Toxic if swallowed; UN number: UN3464; Packing Group: III
Smiles
Clc1ccc(OP(=O)(Cl)Oc2ccc(Cl)cc2Cl)c(Cl)c1
Molecular Formula
C12H6Cl5O3P
Molecular Weight
406.41
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Bis(2,4-dichlorophenyl) chlorophosphate
CAS Number14254-41-2
PubChem CID5012072
IUPAC Name2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene
Molecular FormulaC12H6Cl5O3P
Molecular Weight406.4
XLogP6.4
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity367
SMILES
C1=CC(=C(C=C1Cl)Cl)OP(=O)(OC2=C(C=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17,18)20-12-4-2-8(14)6-10(12)16/h1-6H
InChIKey
RHQSBXZVIMBYKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(2,4-dichlorophenyl) chlorophosphate
CAS: 14254-41-2
CID: 5012072
Formula: C12H6Cl5O3P
MW: 406.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.4
XLogP36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass405.846769
Monoisotopic Mass403.849720
Topological Polar Surface Area35.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity367
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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Alternative Products

CatalogName
FB18656-01Bis (2,4-dichlorophenyl) chlorophosphate
442887-01Bis (butoxyethyl) chlorophosphate
sc-485481Bis (2,6-dimethylphenyl) Chlorophosphate
sc-2561202-Chlorophenyl 2,2,2-trichloroethyl chlorophosphate
GTR19223790-01Bis (2,4-dichlorophenyl) carbonate
AR-P31480-01Bis (2,4-dichlorophenyl) Phosphorochloridate
MBS5780095Bis(2,4-dichlorophenyl) carbonate
sc-486650ABis (4-amino-2,3-dichlorophenyl) methane
OR1011344-014,6-Bis (3,5-Dichlorophenyl) -2-Methylpyrimidine
442842-01Bis (3,4-dichlorophenyl) iodonium Chloride

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