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| CAS No.: | 2409-61-2 |
|---|---|
| Name: | Bis(p-tolyl)phosphine oxide |
| Article Data: | 42 |
| Molecular Structure: | |
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| Formula: | C14H15OP |
| Molecular Weight: | 230.246 |
| Synonyms: | Bis(p-tolyl)phosphine oxide |
| EINECS: | 808-017-2 |
| Melting Point: | 96°C(lit.) |
| Boiling Point: | 354.235 °C at 760 mmHg |
| Flash Point: | 168.035 °C |
| Solubility: | Slightly soluble in water. |
| Risk Codes: | 20/21/22 |
| Safety: | 26-36/37/39 |
| PSA: | 40.54000 |
| LogP: | 2.81390 |
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Specification
The CAS register number of Bis(p-tolyl)phosphine oxide is 2409-61-2. The systematic name about this chemical is bis(4-methylphenyl)phosphane oxide. The molecular formula about this chemical is C14H15OP and the molecular weight is 230.24.
Physical properties about Bis(p-tolyl)phosphine oxide are: (1)ACD/LogP: 1.76; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 28; (5)ACD/BCF (pH 7.4): 28; (6)ACD/KOC (pH 5.5): 381; (7)ACD/KOC (pH 7.4): 381; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 40.54 Å2; (11)Flash Point: 168.035 °C; (12)Enthalpy of Vaporization: 57.561 kJ/mol; (13)Boiling Point: 354.235 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(c1ccc(C)cc1)c2ccc(C)cc2
(2)InChI: InChI=1/C14H15OP/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10,16H,1-2H3
(3)InChIKey: GCUWBTGMXUIKOB-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C14H15OP/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10,16H,1-2H3
(5)Std. InChIKey: GCUWBTGMXUIKOB-UHFFFAOYSA-N