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CAS No.: | 3030-90-8 |
---|---|
Name: | BUTOXYDIPHENYLPHOSPHINE |
Molecular Structure: | |
Formula: | C14H23O2P |
Molecular Weight: | 254.309 |
Synonyms: | Butoxydiphenylphosphine;Dibutoxyphenylphosphine;Phenyldibutoxyphosphine; |
Density: | 0.9769 g/cm3 |
Boiling Point: | 307.7 °C at 760 mmHg |
Flash Point: | 169.9 °C |
PSA: | 32.05000 |
LogP: | 4.25720 |
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The Phosphonousacid, P-phenyl-, dibutyl ester, with the CAS registry number 3030-90-8, is also known as Phenyldibutoxyphosphine. This chemical's molecular formula is C14H23O2P and molecular weight is 254.30. What's more, its systematic name is dibutyl phenylphosphonite.
Physical properties of Phosphonousacid, P-phenyl-, dibutyl ester are: (1)ACD/LogP: 6.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.66; (4)ACD/LogD (pH 7.4): 6.66; (5)ACD/BCF (pH 5.5): 68040.42; (6)ACD/BCF (pH 7.4): 68040.42; (7)ACD/KOC (pH 5.5): 100201.79; (8)ACD/KOC (pH 7.4): 100201.79; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 32.05 Å2; (13)Flash Point: 169.9 °C; (14)Enthalpy of Vaporization: 52.65 kJ/mol; (15)Boiling Point: 307.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00129 mmHg at 25°C.
Uses of Phosphonousacid, P-phenyl-, dibutyl ester: it can be used to produce (butoxy-phenyl-phosphinoyl)-acetic acid methyl ester at the temperature of 90°C. The reaction time of 1 hour. The yield is about 72%.
You can still convert the following datas into molecular structure:
(1)SMILES: O(P(OCCCC)c1ccccc1)CCCC
(2)Std. InChI: InChI=1S/C14H23O2P/c1-3-5-12-15-17(16-13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
(3)Std. InChIKey: YBAAIJIDIRQVLY-UHFFFAOYSA-N