CAS No.16681-73-5,3-bromo-4-methyl-1,2,4-triazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16681-73-5
Name:	3-bromo-4-methyl-1,2,4-triazole
Article Data:	3

Formula:	C₃H₄BrN₃
Molecular Weight:	161.989
Synonyms:	3-Bromo-4-methyl-1,2,4-triazole;
Density:	1.93 g/cm³
Boiling Point:	255.9 °C at 760 mmHg
Flash Point:	108.5 °C
PSA:	30.71000
LogP:	0.57760

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Specification

This chemical is called 4H-1,2,4-Triazole, 3-bromo-4-methyl-, and its CAS registry number is 16681-73-5. With the molecular formula of C₃H₄BrN₃, its molecular weight is 161.99. Additionally, its product category is API Intermediates.

Other characteristics of the 4H-1,2,4-Triazole, 3-bromo-4-methyl- can be summarised as followings: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.56; (4)ACD/LogD (pH 7.4): 0.56; (5)ACD/BCF (pH 5.5): 1.58; (6)ACD/BCF (pH 7.4): 1.58; (7)ACD/KOC (pH 5.5): 48.22; (8)ACD/KOC (pH 7.4): 48.22; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.71 Å²; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 31.25 cm³; (15)Molar Volume: 83.7 cm³; (16)Polarizability: 12.38 10^-24cm³; (17)Surface Tension: 52.1 dyne/cm; (18)Density: 1.93 g/cm³; (19)Flash Point: 108.5 °C; (20)Enthalpy of Vaporization: 49.33 kJ/mol; (21)Boiling Point: 255.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0159 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Brc1nncn1C
2.InChI: InChI=1/C3H4BrN3/c1-7-2-5-6-3(7)4/h2H,1H3
3.InChIKey: PYMVKLCRJYMSGC-UHFFFAOYAQ