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Name |
(+)-2,2'-Isopropylidenebis[(4R)-4-phenyl-2-oxazoline] |
EINECS | N/A | ||||||||||
CAS No. | 150529-93-4 | Density | 1.18g/cm3 | ||||||||||
PSA | 43.18000 | LogP | 3.22380 | ||||||||||
Solubility | N/A | Melting Point |
56-58 °C(lit.) |
||||||||||
Formula | C21H22 N2 O2 | Boiling Point | 468.9°Cat760mmHg | ||||||||||
Molecular Weight | 334.418 | Flash Point | 190.5°C | ||||||||||
Transport Information | UN 2811 | Appearance | N/A | ||||||||||
Safety |
|
Risk Codes | R23/24/25 | ||||||||||
Molecular Structure | Hazard Symbols | ||||||||||||
Synonyms |
Oxazole,2,2'-(1-methylethylidene)bis[4,5-dihydro-4-phenyl-, [R-(R*,R*)]-; (4R,4'R)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4-phenyloxazole);(R)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline); (R)-PheBox;2,2-Bis[(4R)-4,5-dihydro-4-phenyloxazol-2-yl]propane;2,2-Bis[(4R)-4-phenyl-4,5-dihydrooxazol-2-yl]propane;2,2-Bis[(R)-4-phenyl-2-oxazolin-2-yl]propane |
Article Data | 3 |
Molecular Structure of (+)-2,2'-Isopropylidenebis[(4R)-4-phenyl-2-oxazoline] (CAS NO.150529-93-4):
Systematic Name: (4R,4'R)-2,2'-Propane-2,2-diylbis(4-phenyl-4,5-dihydro-1,3-oxazole)
Empirical Formula: C21H22N2O2
Molecular Weight: 334.4116
Nominal Mass: 334
Average Mass: 334.4116
Monoisotopic Mass: 334.168128
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 4
Index of Refraction: 1.611
Molar Refractivity: 98.18 cm3
Molar Volume: 282.5 cm3
Surface Tension: 43 dyne/cm
Density: 1.18 g/cm3
Flash Point: 190.5 °C
Enthalpy of Vaporization: 70.32 kJ/mol
Boiling Point: 468.9 °C at 760 mmHg
Vapour Pressure: 1.62E-08 mmHg at 25 °C
Melting Point: 56-58 °C(lit.)
refractive index: 160 ° (C=1, EtOH)
Product Categories: Asymmetric Synthesis; Synthetic Organic Chemistry
SMILES: N\1=C(\OC[C@H]/1c2ccccc2)C(C/4=N/[C@H](c3ccccc3)CO\4)(C)C
InChI: InChI=1/C21H22N2O2/c1-21(2,19-22-17(13-24-19)15-9-5-3-6-10-15)20-23-18(14-25-20)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKey: JTNVCJCSECAMLD-ROUUACIJBF
Safety Information of (+)-2,2'-Isopropylidenebis[(4R)-4-phenyl-2-oxazoline] (CAS NO.150529-93-4):
Hazard Codes: T
Risk Statements: 23/24/25
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
(+)-2,2'-Isopropylidenebis[(4R)-4-phenyl-2-oxazoline] (CAS NO.150529-93-4), its Synonyms are (R)(+)-2,2'-Isopropylidene-bis(4-phenyl-2-oxazoline) ; (4R,4'R)-2,2'-Propane-2,2-diylbis(4-phenyl-4,5-dihydro-1,3-oxazole) ; Oxazole, 2,2'-(1-methylethylidene)bis[4,5-dihydro-4-phenyl-, (4R,4'R)- .