1-Bromopyrene

Details:

1.Introduction of 1714-29-0

1-Bromopyrene has the synonyms of pyrene, 1-bromo-;2-bromopyrene; 1-pyrenyl bromide and 1-bromopyene. Its CAS registry number is 1714-29-0. And it belongs to the product categories of aromatic compounds, electronic chemicals, pyrenes, aryl, C13 to C37+, halogenated hydrocarbons, fine chemicals, specialty chemicals, intermediates, electronic chemical, organic synthesis, OLED, OLED materials, pharm chemical, electronic chemical.

2.Properties of 1714-29-0

ACD/LogP: 5.763
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 5.76
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 5.5): 14117.77
ACD/BCF (pH 7.4): 14117.77
ACD/KOC (pH 5.5): 32507.99
ACD/KOC (pH 7.4): 32507.99
Index of Refraction: 1.858
Molar Refractivity: 80.154 cm³
Molar Volume: 178.163 cm³
Polarizability: 31.776 10-24cm³
Surface Tension: 62.1220016479492 dyne/cm
Density: 1.578 g/cm³
Flash Point: 209.379 °C
Enthalpy of Vaporization: 65.046 kJ/mol
Boiling Point: 422.487 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 1714-29-0

(1)InChI: InChI=1S/C16H9Br/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
(2)InChIKey: HYGLETVERPVXOS-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)Br

4.Safety Information of 1714-29-0



Hazard symbols:
Xi: Irritant
R-phrase(s)
R36/37/38: Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.