Basic information
- Name:
Naphthalene,6-(chloromethyl)-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-
- CAS No.:
163117-71-3
- Molecular Structure:
- Formula:
- C15H21Cl
- Molecular Weight:
- 236.78
- Synonyms:
- 7-Chloromethyl-1,1,4,4-tetramethyltetrahydronaphthalene;
- Density:
- 0.983g/cm3
- Boiling Point:
- 303.1 °C at 760 mmHg
- Flash Point:
- 132.7 °C
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Specification
The Naphthalene,6-(chloromethyl)-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-, with CAS registry number 163117-71-3, has the systematic name of 6-(chloromethyl)-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene. And the chemical formula of this chemical is C15H21Cl.
Physical properties of Naphthalene,6-(chloromethyl)-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-: (1)ACD/LogP: 6.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.24; (4)ACD/LogD (pH 7.4): 6.24; (5)ACD/BCF (pH 5.5): 32445.66; (6)ACD/BCF (pH 7.4): 32445.66; (7)ACD/KOC (pH 5.5): 58975.27; (8)ACD/KOC (pH 7.4): 58975.27; (9)H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 71.44 cm3; (15)Molar Volume: 240.7 cm3; (16)Polarizability: 28.32×10-24cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 0.983 g/cm3; (19)Flash Point: 132.7 °C; (20)Enthalpy of Vaporization: 52.17 kJ/mol; (21)Boiling Point: 303.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0017 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccc2c(c1)C(CCC2(C)C)(C)C
(2)InChI: InChI=1/C15H21Cl/c1-14(2)7-8-15(3,4)13-9-11(10-16)5-6-12(13)14/h5-6,9H,7-8,10H2,1-4H3
(3)InChIKey: SSAGWEFEPFPFJC-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C15H21Cl/c1-14(2)7-8-15(3,4)13-9-11(10-16)5-6-12(13)14/h5-6,9H,7-8,10H2,1-4H3
(5)Std. InChIKey: SSAGWEFEPFPFJC-UHFFFAOYSA-N