Phenylphosphonic dichloride

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CAS Number

824-72-6

Synonyms

Dichlorophenylphosphine oxide

MDL Number

MFCD00002070

Purity

90%

Smiles

ClP(=O)(Cl)c1ccccc1

Chemical Information

Phenylphosphonic dichloride

Benzene phosphorus oxydichloride appears as a colorless reactive liquid. Severely irritates skin, eyes, and mucous membranes.

CAS Number	824-72-6
PubChem CID	69990
IUPAC Name	dichlorophosphorylbenzene
Molecular Formula	C6H5Cl2OP
Molecular Weight	194.98
XLogP	3.1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	148

SMILES

C1=CC=C(C=C1)P(=O)(Cl)Cl

InChI

InChI=1S/C6H5Cl2OP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H

InChIKey

IBDMRHDXAQZJAP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 824-72-6

CID: 69990

Formula: C6H5Cl2OP

MW: 194.98

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.98
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	193.9455072
Monoisotopic Mass	193.9455072
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	148
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR925125-01	Phenylphosphonic acid
OR322065-01	Phenylphosphonic acid dimethyl ester
PC108278	Tetrafluoronterephthaloyl dichloride
OR1024400-01	Triphenylbismuth Dichloride
BUP09754-01	Mivacurium dichloride
OR46548-01	Malonyl dichloride
BUP21408-01	Asoxime dichloride
BUP23203	Obidoxime dichloride
OR1079359	Phenylthiophosphonic Dichloride
OR1043440-01	Paraquat dichloride

Catalog	Name
TRC-P337715-10G	Phenylphosphonic Dichloride
P14420-01	Phenylphosphonic dichloride Tech. Grade
FP75419-01	Phenylphosphonic Acid
sc-488136	Phenylphosphonic Acid Disodium Salt
B6286-10	Ambenonium dichloride
HY-106782	Titanocene dichloride
T63684-01	DAD dichloride
HY-W087964-01	Dodecanedioyl dichloride
T16372-01	Obidoxime dichloride
274569-01	Dibutyltin Dichloride