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(R)-Styrene oxide

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Name

(R)-Styrene oxide

EINECS 202-476-7
CAS No. 20780-53-4 Density 1.053 g/cm3
PSA 12.53000 LogP 1.75790
Solubility insoluble Melting Point -37 °C
Formula C8H8O Boiling Point 193.9 °C at 760 mmHg
Molecular Weight 120.151 Flash Point 79.4 °C
Transport Information UN 2810 Appearance colorless to light yellow liquid
Safety 53-45 Risk Codes 45-21-36
Molecular Structure Molecular Structure of 20780-53-4 ((R)-Styrene oxide) Hazard Symbols ToxicT
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;

Article Data 251

(R)-Styrene oxide Specification

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%.

(R)-Styrene oxide is prepared by reaction of vinylbenzene.

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%.

(R)-Styrene oxide is used to produce (R)-1-Phenyl-2-[(1-adamantyl)amino]-1-ethanol by reaction with adamantan-1-ylamine.

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

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