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| CAS No.: | 1019-71-2 |
|---|---|
| Name: | Chlorodi(p-tolyl)phosphine, 95% |
| Molecular Structure: | |
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| Formula: | C14H14ClP |
| Molecular Weight: | 248.692 |
| Synonyms: | Di(p-tolyl)chlorophosphine; |
| Density: | 1.1 g/mL at 25 °C |
| Boiling Point: | 346.9 °C at 760 mmHg |
| Flash Point: | 163.6 °C |
| Solubility: | Reacts with water. |
| Hazard Symbols: | C |
| Risk Codes: | 14-34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 13.59000 |
| LogP: | 3.88990 |
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Specification
The Chloro di(p-tolyl)phosphine, with the CAS registry number 1019-71-2, is also known as Di(p-tolyl)chlorophosphine. This chemical's molecular formula is C14H14ClP and molecular weight is 248.69. What's more, its systematic name is bis(4-methylphenyl)phosphinous chloride. Its classification codes are: (1)TSCA Flag P; (2)TSCA Flag XU.
Physical properties of Chloro di(p-tolyl)phosphine are: (1)ACD/LogP: 6.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.25; (4)ACD/LogD (pH 7.4): 6.25; (5)ACD/BCF (pH 5.5): 33125.58; (6)ACD/BCF (pH 7.4): 33125.58; (7)ACD/KOC (pH 5.5): 59857.25; (8)ACD/KOC (pH 7.4): 59857.25; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 13.59 Å2; (12)Flash Point: 163.6 °C; (13)Enthalpy of Vaporization: 56.78 kJ/mol; (14)Boiling Point: 346.9 °C at 760 mmHg; (15)Vapour Pressure: 0.000112 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: ClP(c1ccc(cc1)C)c2ccc(cc2)C
(2)InChI: InChI=1/C14H14ClP/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
(3)InChIKey: BJBXRRHIBSXGLF-UHFFFAOYAU