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| CAS No.: | 17482-05-2 |
|---|---|
| Name: | 2-CHLOROPHENYL METHYL SULFONE |
| Molecular Structure: | |
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|
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| Formula: | C7H7ClO2S |
| Molecular Weight: | 190.65 |
| Synonyms: | Sulfone,o-chlorophenyl methyl (7CI,8CI);2-Chlorophenyl methyl sulfone;o-Chlorophenylmethyl sulfone; |
| Density: | 1.331 g/cm3 |
| Melting Point: | 90-94 °C |
| Boiling Point: | 340.3 °C at 760 mmHg |
| Flash Point: | 159.6 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-41 |
| Safety: | 26-36/39 |
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Specification
The 2-Chlorophenyl methyl sulfone is an organic compound with the formula C7H7ClO2S. The systematic name of this chemical is 1-chloro-2-(methylsulfonyl)benzene. With the CAS registry number 17482-05-2, it is also named as Benzene, 1-chloro-2-(methylsulfonyl)-.
The other characteristics of 2-Chlorophenyl methyl sulfone can be summarized as: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4.18; (6)ACD/BCF (pH 7.4): 4.18; (7)ACD/KOC (pH 5.5): 96.95; (8)ACD/KOC (pH 7.4): 96.95; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 45.02 cm3; (15)Molar Volume: 143.1 cm3; (16)Polarizability: 17.84×10-24 cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.331 g/cm3; (19)Flash Point: 159.6 °C; (20)Enthalpy of Vaporization: 56.07 kJ/mol; (21)Boiling Point: 340.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000171 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. And it has risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and eye / face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(c1ccccc1Cl)C
2. InChI:InChI=1/C7H7ClO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3
3. InChIKey:NXARIPVZOXXAAG-UHFFFAOYAT
4. Std. InChI:InChI=1S/C7H7ClO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3
5. Std. InChIKey:NXARIPVZOXXAAG-UHFFFAOYSA-N