1H-Indene, octahydro-,(3αR,7αS)-rel- supplier

Name
CIS-HYDRINDANE
EINECS 207-813-1
CAS No. 4551-51-3
Article Data7
CAS DataBase
Density 0.882 g/cm³
Solubility
Melting Point -36.8°C
Formula C₉H₁₆
Boiling Point 161 °C at 760 mmHg
Molecular Weight 124.226
Flash Point 37.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Indene,octahydro-, cis-;Indan, hexahydro-, cis- (8CI);cis-Bicyclo[4.3.0]nonane;cis-Hexahydroindan;cis-Hydrindan;cis-Perhydroindene;
PSA
LogP

1H-Indene, octahydro-,(3αR,7αS)-rel- Specification

The 1H-Indene, octahydro-,(3αR,7αS)-rel-, with the CAS registry number 4551-51-3, is also known as Indan, hexahydro-, cis-. This chemical's molecular formula is C₉H₁₆ and molecular weight is 124.22334. Its systematic name is called (3αR,7αS)-octahydro-1H-indene. The product should be sealed and stored in dry and well-ventilated place.

Physical properties of 1H-Indene, octahydro-,(3αR,7αS)-rel-: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.37; (4)ACD/LogD (pH 7.4): 4.37; (5)ACD/BCF (pH 5.5): 1229.62; (6)ACD/BCF (pH 7.4): 1229.62; (7)ACD/KOC (pH 5.5): 5665.74; (8)ACD/KOC (pH 7.4): 5665.74; (9)Index of Refraction: 1.474; (10)Molar Refractivity: 39.55 cm³; (11)Molar Volume: 140.6 cm³; (12)Surface Tension: 29.9 dyne/cm; (13)Density: 0.882 g/cm³; (14)Flash Point: 37.3 °C; (15)Enthalpy of Vaporization: 38.12 kJ/mol; (16)Boiling Point: 161 °C at 760 mmHg; (17)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=1/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9+
(3)InChIKey: BNRNAKTVFSZAFA-DTORHVGOBI

Product Name

CIS-HYDRINDANE

1H-Indene, octahydro-,(3αR,7αS)-rel- Specification

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