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119999-22-3

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Basic Information
CAS No.: 119999-22-3
Name: 6-BROMO-1,1,4,4,7-PENTAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE
Article Data: 16
Molecular Structure:
Molecular Structure of 119999-22-3 (6-BROMO-1,1,4,4,7-PENTAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE)
Formula: C15H21Br
Molecular Weight: 281.236
Synonyms: 2-Bromo-3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene;2-Bromo-5,6,7,8-tetrahydro-3,5,5,8,8-pentamethylnaphthalene;6-Bromo-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene;6-Bromo-1,1,4,4,7-pentamethyltetralin;6-Bromo-7-methyl-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene;
EINECS: 1806241-263-5
Density: 1.145 g/cm3
Melting Point: 92-95 °C
Boiling Point: 308.407 °C at 760 mmHg
Flash Point: 134.545 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant/Keep Cold;  Xi:Irritant/Keep Cold;
PSA: 0.00000
LogP: 5.10650
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Specification

The Naphthalene,6-bromo-1,2,3,4-tetrahydro-1,1,4,4,7-pentamethyl-, also known as CID10039346, is an organic compound with the formula C15H21Br. It belongs to the product categories of Blocks; Bromides. With the CAS registry number 119999-22-3, its IUPAC name is 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Naphthalene,6-bromo-1,2,3,4-tetrahydro-1,1,4,4,7-pentamethyl-: (1)ACD/LogP: 7.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 175054; (6)ACD/BCF (pH 7.4): 175054; (7)ACD/KOC (pH 5.5): 197078; (8)ACD/KOC (pH 7.4): 197078 ; (9)Index of Refraction: 1.516; (10)Molar Refractivity: 74.197 cm3; (11)Molar Volume: 245.551 cm3; (12)Surface Tension: 32.828 dyne/cm; (13)Density: 1.145 g/cm3; (14)Flash Point: 134.545 °C; (15)Enthalpy of Vaporization: 52.717 kJ/mol; (16)Boiling Point: 308.407 °C at 760 mmHg; (17)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)Br
(2)InChI: InChI=1S/C15H21Br/c1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3/h8-9H,6-7H2,1-5H3
(3)InChIKey: ONNHBALCPUEXBT-UHFFFAOYSA-N