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7-Bromo-5-methylbenzo[e][1,2,4]triazin-3-amine

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Name

7-Bromo-5-methylbenzo[e][1,2,4]triazin-3-amine

EINECS N/A
CAS No. 867330-26-5 Density 1.733 g/cm3
PSA 64.69000 LogP 2.25910
Solubility N/A Melting Point N/A
Formula C8H7BrN4 Boiling Point 434.439 °C at 760 mmHg
Molecular Weight 239.074 Flash Point 216.541 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 867330-26-5 (7-Bromo-5-methylbenzo[e][1,2,4]triazin-3-amine) Hazard Symbols N/A
Synonyms

1,2,4-Benzotriazin-3-amine, 7-bromo-5-methyl-;7-Bromo-5-methyl-1,2,4-benzotriazin-3-amine;

 

7-Bromo-5-methylbenzo[e][1,2,4]triazin-3-amine Specification

The 7-Bromo-5-methylbenzo[e][1,2,4]triazin-3-amine, with the cas registry number 867330-26-5, has the systematic name of 7-bromo-5-methyl-1,2,4-benzotriazin-3-amine. The molecular formula of the chemical is C8H7BrN4.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.746; (4)ACD/LogD (pH 7.4): 1.746; (5)ACD/BCF (pH 5.5): 12.504; (6)ACD/BCF (pH 7.4): 12.505; (7)ACD/KOC (pH 5.5): 212.265; (8)ACD/KOC (pH 7.4): 212.279; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 64.69 Å2; (13)Index of Refraction: 1.731; (14)Molar Refractivity: 55.12 cm3; (15)Molar Volume: 137.961 cm3; (16)Polarizability: 21.851×10-24cm3; (17)Surface Tension: 76.135 dyne/cm; (18)Density: 1.733 g/cm3; (19)Flash Point: 216.541 °C; (20)Enthalpy of Vaporization: 69.056 kJ/mol; (21)Boiling Point: 434.439 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cc(cc2c1nc(nn2)N)Br
(2)InChI: InChI=1/C8H7BrN4/c1-4-2-5(9)3-6-7(4)11-8(10)13-12-6/h2-3H,1H3,(H2,10,11,13)
(3)InChIKey: RGCPQJWQLGCWGM-UHFFFAOYAH

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