Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Bromo-1H-1,2,4-triazole |
EINECS | N/A |
CAS No. | 7343-33-1 | Density | 2.102 g/cm3 |
PSA | 41.57000 | LogP | 0.56720 |
Solubility | N/A | Melting Point |
186-188 °C |
Formula | C2H2BrN3 | Boiling Point | 295.4 °C at 760 mmHg |
Molecular Weight | 147.962 | Flash Point | 132.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1H-1,2,4-Triazole,3-bromo- (9CI);s-Triazole, 3-bromo- (6CI,7CI,8CI);3-Bromo-1,2,4-triazole;3-Bromo-1H-1,2,4-triazole; |
Article Data | 10 |
This chemical is called 1H-1,2,4-Triazole,5-bromo-, and its systematic name is 5-bromo-1H-1,2,4-triazole. With the molecular formula of C2H2BrN3, its molecular weight is 147.96. The CAS registry number of this chemical is 7343-33-1.
Other characteristics of the 1H-1,2,4-Triazole,5-bromo- can be summarised as followings: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.27; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 41.27; (8)ACD/KOC (pH 7.4): 30.52; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.71 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 24.55 cm3; (15)Molar Volume: 70.3 cm3; (16)Polarizability: 9.73×10-24cm3; (17)Surface Tension: 72.8 dyne/cm; (18)Density: 2.102 g/cm3; (19)Flash Point: 132.5 °C; (20)Enthalpy of Vaporization: 53.51 kJ/mol; (21)Boiling Point: 295.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00153 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1ncnn1
2.InChI: InChI=1/C2H2BrN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)
3.InChIKey: HHIZISRHAQPAMY-UHFFFAOYAD