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840-90-4

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Basic Information
CAS No.: 840-90-4
Name: bicyclo[2.2.1]hept-2-yl 4-methylbenzenesulfonate
Article Data: 5
Molecular Structure:
Molecular Structure of 840-90-4 (bicyclo[2.2.1]hept-2-yl 4-methylbenzenesulfonate)
Formula: C14H18O3S
Molecular Weight: 266.361
Synonyms: 2-Norbornanol,p-toluenesulfonate, endo- (8CI);Bicyclo[2.2.1]heptan-2-ol, 4-methylbenzenesulfonate,endo-;2-endo-Norbornyl p-toluenesulfonate;2-endo-Norbornyl tosylate;NSC150807;endo-2-Norbornyl tosylate;endo-Norbornyl tosylate;
Density: 1.26 g/cm3
Boiling Point: 399.3 °C at 760 mmHg
Flash Point: 195.3 °C
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  • Bicyclo[2.2.1]heptan-2-ol,4-methylbenzenesulfonate, (1R,2S,4S)-rel- (9CI) cas 840-90-4

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    Bicyclo[2.2.1]heptan-2-ol,4-methylbenzenesulfonate, (1R,2S,4S)-rel- (9CI) cas 840-90-4Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by ex

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Specification

The Bicyclo[2.2.1]heptan-2-ol,4-methylbenzenesulfonate, (1R,2S,4S)-rel- (9CI), with the CAS registry number 840-90-4, is also known as 2-endo-Norbornyl p-toluenesulfonate. This chemical's molecular formula is C14H18O3S and molecular weight is 266.36. What's more, its systematic name is bicyclo[2.2.1]hept-2-yl 4-methylbenzenesulfonate.

Physical properties of Bicyclo[2.2.1]heptan-2-ol,4-methylbenzenesulfonate, (1R,2S,4S)-rel- (9CI) are: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 51.75 Å2; (7)Index of Refraction: 1.579; (8)Molar Refractivity: 70.19 cm3; (9)Molar Volume: 211.1 cm3; (10)Polarizability: 27.82×10-24cm3; (11)Surface Tension: 48.5 dyne/cm; (12)Density: 1.26 g/cm3; (13)Flash Point: 195.3 °C; (14)Enthalpy of Vaporization: 62.47 kJ/mol; (15)Boiling Point: 399.3 °C at 760 mmHg; (16)Vapour Pressure: 3.18E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OC2CC1CCC2C1)c3ccc(cc3)C
(2)InChI: InChI=1S/C14H18O3S/c1-10-2-6-13(7-3-10)18(15,16)17-14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,14H,4-5,8-9H2,1H3
(3)InChIKey: WXFFQUSIUXVKSU-UHFFFAOYSA-N