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1-[Chloromethylsulfonyl]naphthalene

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Name

1-[Chloromethylsulfonyl]naphthalene

EINECS N/A
CAS No. 87491-79-0 Density 1.362 g/cm3
PSA 42.52000 LogP 3.89060
Solubility N/A Melting Point N/A
Formula C11H9ClO2S Boiling Point 441.564 °C at 760 mmHg
Molecular Weight 240.71 Flash Point 220.85 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 87491-79-0 (1-[(CHLOROMETHYL)SULFONYL]NAPHTHALENE) Hazard Symbols N/A
Synonyms

1-[Chloromethylsulfonyl]naphthalene;

Article Data 5

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

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