ChemicalBook--->CAS DataBase List--->824-72-6

824-72-6

824-72-6 Structure

824-72-6 Structure
IdentificationMore
[Name]

Phenylphosphonic dichloride
[CAS]

824-72-6
[Synonyms]

AURORA KA-1395
BENZENE OXYPHOSPHORUS DICHLORIDE
BENZENEPHOSPHONIC DICHLORIDE
BENZENE PHOSPHOROUS OXYDICHLORIDE
Benzene phosphorus oxychloride
BENZENE PHOSPHORUS OXYDICHLORIDE
BPOD
DICHLOROOXOPHENYLPHOSPHORUS
DICHLOROPHENYLPHOSPHINE OXIDE
PHENYLDICHLOROPHOSPHINE OXIDE
Phenyl dichloro sphosphineoxide
Phenyl dichlor phosphine oxide
PHENYLPHOSPHONIC ACID DICHLORIDE
PHENYLPHOSPHONIC DICHLORIDE
PHENYLPHOSPHONYL DICHLORIDE
P,P-DICHLOROPHENYLPHOSPHINE OXIDE
Benzenephosphonicaciddichloride
Benzenephosphonyl chloride
phenyl-phosphonicdichlorid
Phenylphosphonodichloridic acid
[EINECS(EC#)]

212-534-3
[Molecular Formula]

C6H5Cl2OP
[MDL Number]

MFCD00002070
[Molecular Weight]

194.98
[MOL File]

824-72-6.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless to light yellow liqui
[Melting point ]

3 °C(lit.)
[Boiling point ]

258 °C(lit.)
[density ]

1.375 g/mL at 25 °C(lit.)
[vapor pressure ]

2.36Pa at 25℃
[refractive index ]

n20/D 1.559(lit.)
[Fp ]

>230 °F
[storage temp. ]

Store below +30°C.
[solubility ]

Miscible with benzene, chloroform, dimethyl sulfoxide and carbon tetrachloride.
[form ]

Liquid
[color ]

Clear yellow to brown
[Specific Gravity]

1.394 (25℃)
[Water Solubility ]

reacts
[Sensitive ]

Moisture Sensitive
[λmax]

267nm(Cyclohexane)(lit.)
[Detection Methods]

GC,NMR
[BRN ]

1072240
[Dielectric constant]

26.0
[InChI]

1S/C6H5Cl2OP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
[InChIKey]

IBDMRHDXAQZJAP-UHFFFAOYSA-N
[SMILES]

ClP(Cl)(=O)c1ccccc1
[LogP]

1.089 at 20℃
[CAS DataBase Reference]

824-72-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Phosphonic dichloride, phenyl-(824-72-6)
[EPA Substance Registry System]

824-72-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H314-H335
[Precautionary statements ]

P261-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
[Hazard Codes ]

C
[Risk Statements ]

R14:Reacts violently with water.
R34:Causes burns.
R37:Irritating to the respiratory system.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S8:Keep container dry .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29310095
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Corr. 1B
STOT SE 3
[Toxicity]

LD50 orally in Rabbit: 681 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Phenyltetrachlorphosphorus-->Phenylphosphoric acid-->Phenylphosphonic acid dimethyl ester-->Diphenylzinc-->Diethyl phenylphosphonate-->Dichlorophenylphosphine
[Preparation Products]

1,3-Dichloroisoquinoline-->2,6-Diamino-4-chloropyridine-->Methyl 6-methoxyformamido-4-chloropyridin-2-ylcarbamate ,97%-->4-Chloropyridine-2,6-dicarbohydrazide-->Dimethyl 4-chloropyridine-2,6-dicarboxylate-->4-Biphenylsulfonyl chloride-->Phenylphosphonic acid-->4-Chloro-pyridine-2,6-dicarboxylic acid-->3-Chlorophthalic anhydride-->3-Methyl-1-phenyl-2-phospholene 1-oxide-->diaminophosphorylbenzene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Benzene phosphorous oxydichloride(824-72-6).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless to light yellow liqui
[Uses]

Phenylphosphonic dichloride is used in the preparation of 2-phenyl-[1,3,2]dioxaphosphepane-2-oxide. Further, it acts as an effective reagent for the chlorinative dehydration of some heterocycles.
[Synthesis Reference(s)]

Tetrahedron Letters, 33, p. 7473, 1992 DOI: 10.1016/S0040-4039(00)60798-0
[reaction suitability]

reaction type: Buchwald-Hartwig Cross Coupling Reaction
reaction type: Heck Reaction
reaction type: Hiyama Coupling
reaction type: Negishi Coupling
reaction type: Sonogashira Coupling
reaction type: Stille Coupling
reaction type: Suzuki-Miyaura Coupling
reagent type: ligand
[Purification Methods]

Fractionally distil it using a very efficient or a spinning band column. [Lecher et al. J Am Chem Soc 76 1045 1954, NMR: Müller et al. J Am Chem Soc 78 3557 1956, Van Wazer et al. J Am Chem Soc 78 5715 1956, IR: Daasch & Smith Anal Chem 23 853 1951, Beilstein 16 IV 1074.]
Spectrum DetailBack Directory
[Spectrum Detail]

Phenylphosphonic dichloride(824-72-6)MS
Phenylphosphonic dichloride(824-72-6)1HNMR
Phenylphosphonic dichloride(824-72-6)13CNMR
Phenylphosphonic dichloride(824-72-6)IR1
Phenylphosphonic dichloride(824-72-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Phenylphosphonic dichloride, 97%(824-72-6)
[Alfa Aesar]

Phenylphosphonic dichloride, 90+%(824-72-6)
[Sigma Aldrich]

824-72-6(sigmaaldrich)
[TCI AMERICA]

Phenylphosphonic Dichloride,>98.0%(GC)(T)(824-72-6)
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