5-Bromo-1H-1,2,4-triazole supplier

Name
3-BROMO-1H-1,2,4-TRIAZOLE
EINECS
CAS No. 7343-33-1
Article Data10
CAS DataBase
Density 2.102 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
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;
PSA 41.57000
LogP 0.56720

5-Bromo-1H-1,2,4-triazole Specification

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

Product Name

3-BROMO-1H-1,2,4-TRIAZOLE

5-Bromo-1H-1,2,4-triazole Specification

Related Products

Hot Products