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Name |
Pyrene, 1,3,6-tribromo- |
EINECS | 253-870-0 |
CAS No. | 38303-36-5 | Density | 2.084 g/cm3 |
PSA | 0.00000 | LogP | 6.87150 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H7Br3 | Boiling Point | 509.9 °C at 760 mmHg |
Molecular Weight | 438.944 | Flash Point | 252.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,3,6-Tribromopyrene; |
Article Data | 17 |
The Pyrene, 1, 3, 6-tribromo- has CAS registry number 38303-36-5. Its EINECS registry number is 253-870-0. This chemical's molecular formula is C16H7Br3 and molecular weight is 438.93878. What's more, its IUPAC name is 1, 3, 6-Tribromopyrene.
Physical properties about Pyrene, 1, 3, 6-tribromo- are: (1)ACD/LogP: 7.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.43; (4)ACD/LogD (pH 7.4): 7.43; (5)ACD/BCF (pH 5.5): 261414.56; (6)ACD/BCF (pH 7.4): 261414.56; (7)ACD/KOC (pH 5.5): 262602.66; (8)ACD/KOC (pH 7.4): 262602.66; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.868; (14)Molar Refractivity: 95.53 cm3; (15)Molar Volume: 210.5 cm3; (16)Surface Tension: 66.4 dyne/cm; (17)Density: 2.084 g/cm3; (18)Flash Point: 252.1 °C; (19)Enthalpy of Vaporization: 75.1 kJ/mol; (20)Boiling Point: 509.9 °C at 760 mmHg; (21)Vapour Pressure: 5.21E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc4c3c1ccc2c(Br)cc(Br)c(c23)cc4
(2) InChI: InChI=1/C16H7Br3/c17-12-6-2-8-1-3-10-13(18)7-14(19)11-5-4-9(12)15(8)16(10)11/h1-7H
(3) InChIKey: XVBALZHPIPCRKD-UHFFFAOYAD