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CAS No.: | 20780-53-4 |
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Name: | (R)-Styrene oxide |
Article Data: | 251 |
Molecular Structure: | |
Formula: | C8H8O |
Molecular Weight: | 120.151 |
Synonyms: | Benzene,(epoxyethyl)-, (R)-(+)- (8CI);Oxirane, phenyl-, (2R)- (9CI);Oxirane, phenyl-,(R)-;(+)-(R)-Styrene oxide;(+)-Phenyloxirane;(+)-Styrene oxide;(2R)-2-Phenyloxirane;(2R)-Phenyloxirane;(R)-(+)-Phenyloxirane;(R)-(+)-Styrene epoxide;(R)-2-Phenyloxirane;(R)-Epoxystyrene;(R)-Phenylethylene oxide;(R)-Phenyloxirane;(R)-Styrene 7,8-oxide; |
EINECS: | 202-476-7 |
Density: | 1.053 g/cm3 |
Melting Point: | -37 °C |
Boiling Point: | 193.9 °C at 760 mmHg |
Flash Point: | 79.4 °C |
Solubility: | insoluble |
Appearance: | colorless to light yellow liquid |
Hazard Symbols: | T |
Risk Codes: | 45-21-36 |
Safety: | 53-45 |
Transport Information: | UN 2810 |
PSA: | 12.53000 |
LogP: | 1.75790 |
The (R)-Styrene oxide with CAS registry number of 20780-53-4 is also known as (R)-Phenylethylene oxide. The IUPAC name is (2R)-2-Phenyloxirane. It belongs to product categories of Chiral Compounds; Epoxides; Pharmacetical; Chiral; Chiral Compound. This chemical is a colorless to light yellow liquid and should be stored in sealed containers in cool, dry place and away from oxidizing agents. In addition, the formula is C8H8O and the molecular weight is 120.15.
Physical properties about (R)-Styrene oxide are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 9.85; (6)ACD/BCF (pH 7.4): 9.85; (7)ACD/KOC (pH 5.5): 178.99; (8)ACD/KOC (pH 7.4): 178.99; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.53Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 35.27 cm3; (15)Molar Volume: 108.4 cm3; (16)Polarizability: 13.98×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.107 g/cm3; (19)Flash Point: 79.4 °C; (20)Enthalpy of Vaporization: 41.25 kJ/mol; (21)Boiling Point: 193.9 °C at 760 mmHg; (22)Vapour Pressure: 0.633 mmHg at 25 °C.
Preparation of (R)-Styrene oxide: it is prepared by reaction of vinylbenzene. The reaction needs reagents m-chloroperbenzoic acid, N-methylmorpholine-N-oxide, catalyst poly-salen-Mn(III)1 and solvent CH2Cl2 at the temperature of 0 °C for 3 hours. The yield is about 96%.
Uses of (R)-Styrene oxide: it is used to produce (R)-1-Phenyl-2-[(1-adamantyl)amino]-1-ethanol by reaction with adamantan-1-ylamine. The reaction occurs with solvent methanol and other condition of heating for 5 hours. The yield is about 65%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes and harmful in contact with skin. What's more, it may cause cancer. During using it, obtain special instructions before use. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. SMILES: O2[C@H](c1ccccc1)C2
2. InChI: InChI=1/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1
3. InChIKey: AWMVMTVKBNGEAK-QMMMGPOBBD
4. Std. InChI: InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1
5. Std. InChIKey: AWMVMTVKBNGEAK-QMMMGPOBSA-N