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| CAS No.: | 87491-79-0 |
|---|---|
| Name: | 1-[(CHLOROMETHYL)SULFONYL]NAPHTHALENE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C11H9ClO2S |
| Molecular Weight: | 240.71 |
| Synonyms: | 1-[Chloromethylsulfonyl]naphthalene; |
| Density: | 1.362 g/cm3 |
| Boiling Point: | 441.564 °C at 760 mmHg |
| Flash Point: | 220.85 °C |
| PSA: | 42.52000 |
| LogP: | 3.89060 |
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Specification
The systematic name of this chemical is 1-[(chloromethyl)sulfonyl]naphthalene. With the CAS registry number 87491-79-0, it is also named as naphthalene, 1-[(chloromethyl)sulfonyl]-. The formula is C11H9ClO2S and the molecular weight is 240.70. In addition, the product's category is API Intermediates.
The other characteristics of 1-[Chloromethylsulfonyl]naphthalene can be summarized as: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 42.52 Å2; (7)Index of Refraction: 1.626; (8)Molar Refractivity: 62.589 cm3; (9)Molar Volume: 176.712 cm3; (10)Polarizability: 24.812×10-24 cm3; (11)Surface Tension: 48.844 dyne/cm; (12)Density: 1.362 g/cm3; (13)Flash Point: 220.85 °C ; (14)Enthalpy of Vaporization: 67.195 kJ/mol; (15)Boiling Point: 441.564 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:ClCS(=O)(=O)c2cccc1ccccc12
2. InChI:InChI=1/C11H9ClO2S/c12-8-15(13,14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2
3. InChIKey:XHMLYFRREKIYDU-UHFFFAOYAM
4. Std. InChI:InChI=1S/C11H9ClO2S/c12-8-15(13,14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2
5. Std. InChIKey:XHMLYFRREKIYDU-UHFFFAOYSA-N