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1H-Phosphole,2,5-dihydro-3-methyl-1-phenyl-, 1-oxide (7564-51-4)

Identification
Name:1H-Phosphole,2,5-dihydro-3-methyl-1-phenyl-, 1-oxide
Synonyms:3-Phospholene,3-methyl-1-phenyl-, 1-oxide (6CI,7CI,8CI);(RS)-3-Methyl-1-phenylphospholene1-oxide;1-Phenyl-3-methyl-1-oxo-3-phospholine;1-Phenyl-3-methyl-3-phospholene1-oxide;1-Phenyl-3-methyl-3-phospholene oxide;2,5-Dihydro-3-methyl-1-phenylphosphole 1-oxide;3-Methyl-1-phenyl-3-phospholene1-oxide;3-Methyl-1-phenyl-3-phospholene oxide;Lubio Polykat 1;NSC 33505;
CAS:7564-51-4
EINECS: 231-463-9
Molecular Formula: C11H13OP
Molecular Weight: 192.1941
InChI: InChI=1/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3/t13-/m0/s1
Molecular Structure: (C11H13OP) 3-Phospholene,3-methyl-1-phenyl-, 1-oxide (6CI,7CI,8CI);(RS)-3-Methyl-1-phenylphospholene1-oxide;1-P...
Properties
Flash Point: 175.4°C
Boiling Point: 366.5°Cat760mmHg
Density:1.11g/cm3
Refractive index:1.541
Specification:

The IUPAC name of 2,5-Dihydro-3-methyl-1-phenyl-1H-phosphole 1-oxide is 3-Methyl-1-phenyl-2,5-dihydro-1λ5-phosphole 1-oxide. With the CAS registry number 7564-51-4, it is also named as 1H-Phosphole, 2,5-dihydro-3-methyl-1-phenyl-, 1-oxide. The product's other registry number is 54877-61-1. Besides, it should be stored in closed, cool and dry place. In addition, its molecular formula is C11H13OP and molecular weight is 192.19. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes. 

The other characteristics of this product can be summarized as: (1)EINECS: 231-463-9; (2)XLogP3-AA: 1.1; (3)H-Bond Donor: 0; (4)H-Bond Acceptor: 1; (5)Rotatable Bond Count: 1; (6)Exact Mass: 192.070402; (7)MonoIsotopic Mass: 192.070402; (8)Topological Polar Surface Area: 17.1; (9)Heavy Atom Count: 13; (10)Complexity: 261; (11)Freely Rotating Bonds: 1; (12)Index of Refraction: 1.541; (13)Molar Refractivity: 54.28 cm3; (14)Molar Volume: 172.6 cm3; (15)Polarizability: 21.51×10-24cm3; (16)Surface Tension: 38.3 dyne/cm; (17)Density: 1.11 g/cm3; (18)Flash Point: 175.4 °C; (19)Melting point: 60-65 °C; (20)Enthalpy of Vaporization: 58.88 kJ/mol; (21)Boiling Point: 366.5 °C at 760 mmHg; (22)Vapour Pressure: 3.08E-05 mmHg at 25 °C.

Preparation of 2,5-Dihydro-3-methyl-1-phenyl-1H-phosphole 1-oxide: this chemical can be prepared by Phenylmagnesium bromide and 1-Bromo-3-methyl-2,5-dihydro-1H-phosphole.



This reaction needs Tetrahydrofuran at ambient temperature. The yield is 81 %.

Uses of 2,5-Dihydro-3-methyl-1-phenyl-1H-phosphole 1-oxide: it can be used for producting 3-Methyl-1-phenyl-2,5-dihydro-1H-phosphole.



This reaction needs Benzene and Phenylsilane at temperature of 70 °C. The reaction time is 2 hours. The yield is 72 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=P2(c1ccccc1)C/C=C(\C2)C
(2)InChI:InChI=1/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3
(3)InChIKey:DBZGWWBWDYGSRA-UHFFFAOYAZ
(4)Std. InChI:InChI=1S/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3
(5)Std. InChIKey:DBZGWWBWDYGSRA-UHFFFAOYSA-N

Flash Point: 175.4°C
Safety Data
 

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