CAS No.102121-55-1,2-Nitro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102121-55-1
Name:	2-Nitro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene
Article Data:	14

Formula:	C₁₄H₁₉NO₂
Molecular Weight:	233.31
Synonyms:	1,1,4,4-Tetramethyl-6-nitro-1,2,3,4-tetrahydronaphthalene;2-Nitro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene;2-Nitro-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene;
Density:	1.037 g/cm³
Boiling Point:	317.472 °C at 760 mmHg
Flash Point:	127.888 °C
PSA:	45.82000
LogP:	4.46700

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Specification

The Naphthalene,1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-6-nitro-, with the CAS registry number 102121-55-1, is also known as 2-Nitro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene. This chemical's molecular formula is C₁₄H₁₉NO₂ and molecular weight is 233.31. What's more, its systematic name is 1,1,4,4-tetramethyl-6-nitro-1,2,3,4-tetrahydronaphthalene.

Physical properties of Naphthalene,1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-6-nitro- are: (1)ACD/LogP: 5.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 12643; (6)ACD/BCF (pH 7.4): 12643; (7)ACD/KOC (pH 5.5): 30039; (8)ACD/KOC (pH 7.4): 30039; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 68.227 cm³; (15)Molar Volume: 224.933 cm³; (16)Polarizability: 27.047×10^-24cm³; (17)Surface Tension: 37.094 dyne/cm; (18)Density: 1.037 g/cm³; (19)Flash Point: 127.888 °C; (20)Enthalpy of Vaporization: 53.663 kJ/mol; (21)Boiling Point: 317.472 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
(2)InChI: InChI=1S/C14H19NO2/c1-13(2)7-8-14(3,4)12-9-10(15(16)17)5-6-11(12)13/h5-6,9H,7-8H2,1-4H3
(3)InChIKey: ZABFOFGWNHHHOO-UHFFFAOYSA-N