3,6-Dibromocarbazole CAS NO.6825-20-3

1.Introduction of 6825-20-3|

3,6-Dibromocarbazole has the CAS register number of 6825-20-3. And its IUPAC name is 3,6-dibromo-9H-carbazole. The wide application of this substance are carbazoles, carbazoles (for conduting polymer research), functional materials, reagents for conducting polymer research, carbazole, carbazolesheterocyclic building blocks, building blocks, halogenated heterocycles, heterocyclic building blocks, apoptosis inhibitors, carbazole series, organic chemicals and derivatives/others, OLED, OLED materials,pharm chemical.

2.Properties of 6825-20-3

ACD/LogP: 4.76
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 4.76
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 5.5): 2439.47
ACD/BCF (pH 7.4): 2439.47
ACD/KOC (pH 5.5): 9251.72
ACD/KOC (pH 7.4): 9251.72
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
Polar Surface Area: 15.79  ²
Index of Refraction: 1.797
Molar Refractivity: 71.751 cm³
Molar Volume: 168.357 cm³
Polarizability: 28.444 10-24cm³
Surface Tension: 63.6510009765625 dyne/cm
Density: 1.93 g/cm³
Flash Point: 231.4 °C
Enthalpy of Vaporization: 69.183 kJ/mol
Boiling Point: 459.009 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 6825-20-3

(1)InChI: InChI=1S/C12H7Br2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
(2)InChIKey: FIHILUSWISKVSR-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC2=C(C=C1Br)C3=C(N2)C=CC(=C3)Br

4.Safety Information of 6825-20-3



Eye Irrit.: Eye irritation
H315: Causes skin irritation.
H319: Causes serious eye irritation.
H335: May cause respiratory irritation.
Skin Irrit.: Skin irritation
STOT SE: Specific target organ toxicity - single exposure
Xi: Irritant
R36/37/38: Irritating to eyes, respiratory system and skin.