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19111-87-6

Basic Information
CAS No.: 19111-87-6
Name: 2-bromoTriphenylene
Molecular Structure:
Molecular Structure of 19111-87-6 (2-bromoTriphenylene)
Formula: C18H11Br
Molecular Weight: 307.18
Synonyms: 2-bromotriphenylene; ; 2-bromo-Triphenylene; 2-bromobenzo[9,10]phenanthrene
EINECS: 807-972-2
Density: 1.477 g/cm3
Melting Point: 132.0 to 136.0 °C
Boiling Point: 482.944 °C at 760 mmHg
Flash Point: 244.678 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 0.00000
LogP: 5.90870
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  • 2-bromoTriphenylene CAS 19111-87-6

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    19111-87-6

    2-bromoTriphenylene CAS 19111-87-6

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Specification

The 2-Bromotriphenylene, with the CAS registry number 19111-87-6, has the molecular formula C18H11Br. Besides, its molecular weight is 307.18. Its systematic name is called 2-bromotriphenylene.

Physical properties of 2-Bromotriphenylene: (1)ACD/LogP: 6.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.68; (4)ACD/LogD (pH 7.4): 6.68; (5)ACD/BCF (pH 5.5): 70532.71; (6)ACD/BCF (pH 7.4): 70532.71; (7)ACD/KOC (pH 5.5): 102815.53; (8)ACD/KOC (pH 7.4): 102815.53; (9)Index of Refraction: 1.782; (10)Molar Refractivity: 87.47 cm3; (11)Molar Volume: 207.9 cm3; (12)Surface Tension: 56.1 dyne/cm; (13)Density: 1.477 g/cm3; (14)Flash Point: 244.7 °C; (15)Enthalpy of Vaporization: 71.95 kJ/mol; (16)Boiling Point: 482.9 °C at 760 mmHg; (17)Vapour Pressure: 5.14E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc3c(cc1)c2ccccc2c4ccccc34
(2)InChI: InChI=1/C18H11Br/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11H
(3)InChIKey: GEDOYYDMCZUHNW-UHFFFAOYAU