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824-72-6 molecular structure
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phenylphosphonoyl dichloride

ChemBase ID: 88368
Molecular Formular: C6H5Cl2OP
Molecular Mass: 194.983061
Monoisotopic Mass: 193.94550677
SMILES and InChIs

SMILES:
P(=O)(c1ccccc1)(Cl)Cl
Canonical SMILES:
ClP(=O)(c1ccccc1)Cl
InChI:
InChI=1S/C6H5Cl2OP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
InChIKey:
IBDMRHDXAQZJAP-UHFFFAOYSA-N

Cite this record

CBID:88368 http://www.chembase.cn/molecule-88368.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
phenylphosphonoyl dichloride
IUPAC Traditional name
phosphonic dichloride, phenyl-
Synonyms
PHENYL PHOSPHONIC DICHLORIDE
Dichlorophenylphosphine oxide
Phenylphosphonic dichloride
Benzenephosphonyl chloride
Phenyldichlorophosphine oxide
Phenylphosphonyl dichloride
Phenylphosphoryl dichloride
P,P-Dichlorophenylphosphine oxide
Phenylphosphonic dichloride
Benzenephosphonic dichloride
苯膦氧化二氯
苯膦酰二氯
苯基二氯化磷
CAS Number
824-72-6
EC Number
212-534-3
MDL Number
MFCD00002070
Beilstein Number
1072240
PubChem SID
24862310
162075328
24864291
PubChem CID
69990

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8198  LogD (pH = 7.4) 2.8198 
Log P 2.8198  Molar Refractivity 44.3898 cm3
Polarizability 17.400133 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
1-3°C expand Show data source
3 °C(lit.) expand Show data source
3°C expand Show data source
Boiling Point
258 °C(lit.) expand Show data source
258°C expand Show data source
258°C expand Show data source
Flash Point
204 °C expand Show data source
204°C expand Show data source
204°C(399°F) expand Show data source
399.2 °F expand Show data source
Density
1.375 expand Show data source
1.375 g/ml expand Show data source
1.375 g/mL at 25 °C(lit.) expand Show data source
1.379 expand Show data source
Refractive Index
1.5600 expand Show data source
n20/D 1.559 expand Show data source
n20/D 1.559(lit.) expand Show data source
Storage Warning
Corrosive/Moisture Sensitive/Store under Argon expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
UN Number
3265 expand Show data source
UN3094 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
14-22-34 expand Show data source
14-34-37 expand Show data source
Safety Statements
26-45 expand Show data source
8-26-30-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H314-H318 expand Show data source
H314 expand Show data source
GHS Precautionary statements
P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3265 8/PG 2 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Purity
≥90% (GC) expand Show data source
90% expand Show data source
90+% expand Show data source
Grade
technical expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C6H5POCl2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05212985 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 389560 external link
Packaging
100, 500 mL in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Effective reagent for the chlorinative dehydration of some heterocycles, in cases where conventional reagents such as POCl3 or P2O5 fail; see, e.g.: J. Med. Chem., 14, 339 (1971):
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PATENTS

PATENTS

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INTERNET

INTERNET

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