CAS No.164858-78-0,(R)-(+)-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-4-(1-METHYLETHYL)-4,5-DIHYDROOXAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	164858-78-0
Name:	(R)-(+)-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-4-(1-METHYLETHYL)-4,5-DIHYDROOXAZOLE
Article Data:	1

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