-
Name
5-BroMo-1,2,3-triazine
- EINECS
- CAS No. 114078-88-5
- Article Data9
- CAS DataBase
- Density 1.876 g/cm3
- Solubility
- Melting Point 112 °C (decomp)(Solv: ethyl acetate (141-78-6))
- Formula C3H2BrN3
- Boiling Point 242.531 °C at 760 mmHg
- Molecular Weight 159.973
- Flash Point 100.48 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,2,3-triazine, 5-bromo-; 5-Bromo-1,2,3-triazine
- PSA 38.67000
- LogP 0.63410
5-Bromo-1,2,3-triazine Specification
The 5-Bromo-1,2,3-triazine, with the CAS registry number 114078-88-5, is also known as 1,2,3-Triazine, 5-bromo-. This chemical's molecular formula is C3H2BrN3 and molecular weight is 159.97. What's more, its systematic name is 5-Bromo-1,2,3-triazine.
Physical properties of 5-Bromo-1,2,3-triazine are: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 25.04; (8)ACD/KOC (pH 7.4): 25.04; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.67 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 28.217 cm3; (15)Molar Volume: 85.29 cm3; (16)Polarizability: 11.186×10-24cm3; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.876 g/cm3; (19)Flash Point: 100.48 °C; (20)Enthalpy of Vaporization: 46.009 kJ/mol; (21)Boiling Point: 242.531 °C at 760 mmHg; (22)Vapour Pressure: 0.05 mmHg at 25°C.
Uses of 5-Bromo-1,2,3-triazine: it can be used to produce 4-bromo-pyrazol-1-ylamine at the temperature of 5 °C. It will need reagent aq. NaIO4 and solvent CHCl3 with the reaction time of 16 hours. The yield is about 89%.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnnn1)Br
(2)Std. InChI: InChI=1S/C3H2BrN3/c4-3-1-5-7-6-2-3/h1-2H
(3)Std. InChIKey: LSBKXRBABHPHBW-UHFFFAOYSA-N
Related Products
- 5-Bromo-1(2H)-isoquinolinone
- 5-Bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
- 5-Bromo-1,10-phenanthroline
- 5-Bromo-1,2,3,4-tetrahydroisoquinoline
- 5-Bromo-1,2,3,4-tetrahydroquinoline
- 5-Bromo-1,2,3-triazine
- 5-Bromo-1,3-benzenedicarbonitrile
- 5-Bromo-1,3-benzenediol
- 5-Bromo-1,3-benzoxazol-2-amine
- 5-Bromo-1,3-dichloro-2-fluorobenzene
- 1140-81-4
- 114084-78-5
- 114090-18-5
- 114095-02-2
- 114095-04-4
- 114095-27-1
- 1140972-21-9
- 114099-96-6
- 1141-05-5
- 114108-86-0
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View