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| CAS No.: | 164858-78-0 |
|---|---|
| Name: | (R)-(+)-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-4-(1-METHYLETHYL)-4,5-DIHYDROOXAZOLE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C24H24NOP |
| Molecular Weight: | 373.434 |
| Synonyms: | (4R)-(+)-4,5-Dihydro-2-(2'-(diphenylphosphino)phenyl)-4-isopropyloxazole; |
| Melting Point: | 85-90 °C |
| Boiling Point: | 492.7 °C at 760 mmHg |
| Flash Point: | 251.8 °C |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 35.18000 |
| LogP: | 3.68180 |
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Specification
The CAS register number of (R)-(+)-2-[2-(Diphenylphosphino)phenyl]-4-isopropyl-2-oxazoline is 164858-78-0. It also can be called as (4R)-(+)-4,5-Dihydro-2-(2'-(diphenylphosphino)phenyl)-4-isopropyloxazole and the systematic name about this chemical is (4R)-2-[2-(diphenylphosphanyl)phenyl]-4-(1-methylethyl)-4,5-dihydro-1,3-oxazole. The molecular formula about this chemical is C24H24NOP and the molecular weight is 373.43.
Physical properties about (R)-(+)-2-[2-(Diphenylphosphino)phenyl]-4-isopropyl-2-oxazoline are: (1)ACD/LogP: 6.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.67; (4)ACD/LogD (pH 7.4): 6.7; (5)ACD/BCF (pH 5.5): 67858.91; (6)ACD/BCF (pH 7.4): 72131.94; (7)ACD/KOC (pH 5.5): 98267.13; (8)ACD/KOC (pH 7.4): 104454.95; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 35.18Å2; (12)Flash Point: 251.8 °C; (13)Enthalpy of Vaporization: 73.08 kJ/mol; (14)Boiling Point: 492.7 °C at 760 mmHg; (15)Vapour Pressure: 2.27E-09 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic
fumes of Cl-. This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: N\1=C(\OC[C@H]/1C(C)C)c4c(P(c2ccccc2)c3ccccc3)cccc4
(2)InChI: InChI=1/C24H24NOP/c1-18(2)22-17-26-24(25-22)21-15-9-10-16-23(21)27(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,22H,17H2,1-2H3/t22-/m0/s1
(3)InChIKey: OUQSAXROROGQEE-QFIPXVFZBH
(4)Std. InChI: InChI=1S/C24H24NOP/c1-18(2)22-17-26-24(25-22)21-15-9-10-16-23(21)27(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,22H,17H2,1-2H3/t22-/m0/s1
(5)Std. InChIKey: OUQSAXROROGQEE-QFIPXVFZSA-N