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| CAS No.: | 187344-92-9 |
|---|---|
| Name: | (XYL)2P(O)H |
| Article Data: | 26 |
| Molecular Structure: | |
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| Formula: | C16H19OP |
| Molecular Weight: | 258.3 |
| Synonyms: | Bis(3,5-dimethylphenyl)phosphine oxide; |
| EINECS: | 805-024-2 |
| Melting Point: | 82-84℃ |
| Boiling Point: | 414.844 °C at 760 mmHg |
| Flash Point: | 204.691 °C |
| Appearance: | liquid |
| Risk Codes: | 20/21/22 |
| Safety: | 26-36/37/39 |
| PSA: | 40.54000 |
| LogP: | 3.43070 |
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Specification
The Phosphine oxide,bis(3,5-dimethylphenyl)- has the CAS registry number 187344-92-9. This chemical's molecular formula is C16H19OP and molecular weight is 258.30. What's more, its systematic name is Bis(3,5-dimethylphenyl)phosphane oxide.
Physical properties of Phosphine oxide,bis(3,5-dimethylphenyl)- are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 142; (6)ACD/BCF (pH 7.4): 142; (7)ACD/KOC (pH 5.5): 1207; (8)ACD/KOC (pH 7.4): 1207; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.54 Å2; (13)Flash Point: 204.691 °C; (14)Enthalpy of Vaporization: 64.191 kJ/mol; (15)Boiling Point: 414.844 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cc(C)c1)P(=O)c2cc(C)cc(C)c2
(2)InChI: InChI=1/C16H19OP/c1-11-5-12(2)8-15(7-11)18(17)16-9-13(3)6-14(4)10-16/h5-10,18H,1-4H3
(3)InChIKey: AWAYSUMOANJULO-UHFFFAOYSA-N