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Triphenylphosphine(CAS No. 603-35-0)

Triphenylphosphine C18H15P (cas 603-35-0) Molecular Structure

603-35-0 Structure

Identification and Related Records

【Name】
Triphenylphosphine
【CAS Registry number】
603-35-0
【Synonyms】
triphenyl phosphine
Triphenylphosphorus
TRIPHENYL PHOSPHINE
【EINECS(EC#)】
210-036-0
【Molecular Formula】
C18H15P (Products with the same molecular formula)
【Molecular Weight】
262.29
【Inchi】
InChI=1/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
【Canonical SMILES】
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3
【MOL File】
603-35-0.mol

Chemical and Physical Properties

【Appearance】
White powder
【Density】
1.132
【Melting Point】
78.5-81.5℃
【Boiling Point】
377℃
【Refractive Index】
1.5918 (20 C)
【Flash Point】
181℃
【Water】
Insoluble
【Solubilities】
Insoluble
【Color/Form】
MONOCLINIC PLATELETS OR PRISMS FROM ETHER
WHITE CRYSTALLINE SOLID
【Stability】
Stable. Incompatible with oxidizing agents, acids.
【HS Code】
29310095
【Storage temp】
Store at RT.
【Spectral properties】
MAX ABSORPTION (DILUTED ALCOHOL): 260 NM (LOG E= 4.0); INDEX OF REFRACTION: 1.6358 @ 80 DEG C/D
IR: 5541 (Coblentz Society Spectral Collection)
UV: 6-768 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York)
NMR: 8675 (Sadtler Research Laboratories Spectral Collection)
MASS: 208 (Aldermaston, Eight Peak Index of Mass Spectra, UK)
IR: 2:1030A (Aldrich Library of Infrared Spectra, Aldrich Chemical Co, Milwaukee, WI)
NMR: 10:69B (Aldrich Library of Mass Spectra, Aldrich Chemical Co, Milwaukee, WI)
MASS: 4692 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63)
【Computed Properties】
Molecular Weight:262.285461 [g/mol]
Molecular Formula:C18H15P
XLogP3-AA:4.6
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:3
Exact Mass:262.091137
MonoIsotopic Mass:262.091137
Topological Polar Surface Area:0
Heavy Atom Count:19
Formal Charge:0
Complexity:202
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
Feature 3D Ring Count:3
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:3

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22;R43;R53
【Safety Statements 】
S26;S36/37/39;S61
【Safety】

Hazard Codes:?HarmfulXn,?DangerousN
Risk Statements: 22-43-53-50/53-48/20/22?
R22:Harmful if swallowed.?
R43:May cause sensitization by skin contact.?
R53:May cause long-term adverse effects in the aquatic environment.?
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.?
R48/20/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed and Harmful by inhalation.
Safety Statements: 36/37-60-61-36/37/39-26?
S36/37:Wear suitable protective clothing and gloves.?
S60:This material and its container must be disposed of as hazardous waste.?
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 3077
WGK Germany: 2
RTECS: SZ3500000
F: 9
HS Code: 29310095

【PackingGroup 】
O52
【Cleanup Methods】
ALKALINE WASTEWATER (PH 11.7) CONTAINING 10 PPM PH3 FROM MFR OF TRIPHENYLPHOSPHINE TREATED WITH 30 PPM OF 0.15% H2O2 SOLN @ 25 DEG C. ODOR WAS REMOVED IN 4 HR VS 8 @ PH 8.5.
【Transport】
3077
【Fire Fighting Procedures】
FOAM MAY CAUSE FROTHING.
【Specification】

?Triphenylphosphine , its cas register number is 603-35-0. It also can be called?Phosphine, triphenyl- ; Trifenylfosfin ; Trifenylfosfin [Czech] ; Triphenyl phosphine .It?exists as relatively air stable, colorless crystals at room temperature. It dissolves in non-polar organic solvents such as benzene and diethyl ether.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

REACTION OF PHENYLMAGNESIUM BROMIDE AND PHOSPHORUS TRICHLORIDE
FROM PHENYLMAGNESIUM BROMIDE & PHOSPHORUS TRICHLORIDE: PFEIFFER, PIETSCH, BER 37, 4621 (1904); SAUVAGE COMPT REND 139, 675 (1904); DODONON, MEDOX, BER 61, 910 (1928); DENNEY ET AL, J AM CHEM SOC 83, 1729 (1961).
BY A MODIFIED GRIGNARD SYNTHESIS.
U.S. Exports

(1977) ND
(1979) ND
U.S. Imports

(1977) 2.72X10+7 G (PRINCPL CUSTMS DISTS)
(1979) 7.58X10+7 G (PRINCPL CUSTMS DISTS)
U.S. Production

(1977) ND
(1979) ND
【Usage】

Organic synthesis, polymerization initiator.

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