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| CAS No.: | 97466-49-4 |
|---|---|
| Name: | (S)-3-CHLOROSTYRENE OXIDE |
| Article Data: | 107 |
| Molecular Structure: | |
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| Formula: | C8H7ClO |
| Molecular Weight: | 154.596 |
| Synonyms: | Oxirane,(4-chlorophenyl)-, (2S)- (9CI);Oxirane, (4-chlorophenyl)-, (S)-;(+)-4'-Chlorostyrene oxide; |
| Density: | 1.284 g/cm3 |
| Boiling Point: | 229.409 °C at 760 mmHg |
| Flash Point: | 97.59 °C |
| PSA: | 12.53000 |
| LogP: | 2.41130 |
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Specification
The Oxirane,2-(4-chlorophenyl)-, (2S)- is an organic compound with the formula C8H7ClO. The systematic name of this chemical is 2-(4-chlorophenyl)oxirane. With the CAS registry number 97466-49-4, it is also named as Benzene, 1-chloro-4-(epoxyethyl)-. The product's category is Chiral Reagent.
The other characteristics of Oxirane,2-(4-chlorophenyl)-, (2S)- can be summarized as: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 12.53 Å2; (7)Index of Refraction: 1.581; (8)Molar Refractivity: 40.16 cm3; (9)Molar Volume: 120.4 cm3; (10)Polarizability: 15.92×10-24 cm3; (11)Surface Tension: 46.2 dyne/cm; (12)Density: 1.283 g/cm3; (13)Flash Point: 98.1 °C; (14)Enthalpy of Vaporization: 44.81 kJ/mol; (15)Boiling Point: 230.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0998 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:Clc1ccc(cc1)C2OC2
2. InChI:InChI=1/C8H7ClO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2
3. InChIKey:IBWLXNDOMYKTAD-UHFFFAOYAE
4. Std. InChI:InChI=1S/C8H7ClO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2
5. Std. InChIKey:IBWLXNDOMYKTAD-UHFFFAOYSA-N