-
Name
1-[(CHLOROMETHYL)SULFONYL]NAPHTHALENE
- EINECS
- CAS No. 87491-79-0
- Article Data5
- CAS DataBase
- Density 1.362 g/cm3
- Solubility
- Melting Point
- Formula C11H9ClO2S
- Boiling Point 441.564 °C at 760 mmHg
- Molecular Weight 240.71
- Flash Point 220.85 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-[Chloromethylsulfonyl]naphthalene;
- PSA 42.52000
- LogP 3.89060
1-[Chloromethylsulfonyl]naphthalene 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
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View