CAS No.3296-50-2,TRANS-HYDRINDANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3296-50-2
Name:	TRANS-HYDRINDANE
Article Data:	7

Formula:	C₉H₁₆
Molecular Weight:	124.226
Synonyms:	trans-Hydrindan;trans-Perhydroindene;trans-Hexahydroindan;trans-Bicyclo[4.3.0]nonane;Indan, hexahydro-, trans- (8CI);1H-indene, octahydro-, (3aR,7aR)-;
Density:	0.882 g/cm³
Melting Point:	-59.7°C
Boiling Point:	161 °C at 760 mmHg
Flash Point:	37.3 °C
PSA:	0.00000
LogP:	2.97670

Total:12 Page 1 of 1 1

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Specification

The 1H-Indene, octahydro-, trans-, with the CAS registry number 3296-50-2, is also known as trans-Perhydroindene. This chemical's molecular formula is C₉H₁₆ and molecular weight is 124.22. What's more, its systematic name is (3aR,7aR)-octahydro-1H-indene. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light.

Physical properties of 1H-Indene, octahydro-, trans- are: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.37; (4)ACD/BCF (pH 5.5): 1229.62; (5)ACD/KOC (pH 5.5): 5665.74; (6)Index of Refraction: 1.474; (7)Molar Refractivity: 39.55 cm³; (8)Molar Volume: 140.6 cm³; (9)Polarizability: 15.68×10^-24cm³; (10)Surface Tension: 29.9 dyne/cm; (11)Density: 0.882 g/cm³; (12)Flash Point: 37.3 °C; (13)Enthalpy of Vaporization: 38.12 kJ/mol; (14)Boiling Point: 161 °C at 760 mmHg; (15)Vapour Pressure: 3.02 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1CC[C@H]2CCCC[C@H]12
(2)InChI: InChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9-/m1/s1
(3)InChIKey: BNRNAKTVFSZAFA-RKDXNWHRSA-N