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1198396-29-0 price
1.Introduction of 1198396-29-0
3,5-Dibromobenzonitrile has its CAS registry number of 1198396-29-0. Its synonyms are 9-bromine-11,11-dimethyl
1.Introduction of 1198396-29-0
3,5-Dibromobenzonitrile has its CAS registry number of 1198396-29-0. Its synonyms are 9-bromine-11,11-dimethyl-11H-benzo[a]fluorene, 9-bromo-11,11-dimethyl-11H-benzo[a]fluorene, 9-bromo-11-dimethyl-11H-benzo[a]fluorene. Our procuct is a kind of Off-white to white powder which has the purity of 97.0% in the market.
2.Properties of 1198396-29-0
ACD/LogP: 7.833
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 7.83
ACD/LogD (pH 7.4): 7.83
ACD/BCF (pH 5.5): 528490.00
ACD/BCF (pH 7.4): 528490.00
ACD/KOC (pH 5.5): 434631.40
ACD/KOC (pH 7.4): 434631.40
Index of Refraction: 1.671
Molar Refractivity: 88.65 cm3
Molar Volume: 237.048 cm3
Polarizability: 35.144 10-24cm3
Surface Tension: 48.0620002746582 dyne/cm
Density: 1.364 g/cm3
Flash Point: 218.897 °C
Enthalpy of Vaporization: 67.581 kJ/mol
Boiling Point: 444.964 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
3.Structure Descriptors of 1198396-29-0
(1)InChI: InChI=1S/C19H15Br/c1-19(2)17-11-13(20)8-10-15(17)16-9-7-12-5-3-4-6-14(12)18(16)19/h3-11H,1-2H3
(2)InChIKey: BXVWLQIKNMFQCS-UHFFFAOYSA-N
(3)Canonical SMILES : CC1(c2cc(ccc2-c3c1c4ccccc4cc3)Br)C
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