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CAS No.: | 499770-76-2 |
---|---|
Name: | 5-(Bromomethyl)-1-methyl-1H-1,2,3-benzotriazole |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H8BrN3 |
Molecular Weight: | 226.07 |
Synonyms: | 5-(Bromomethyl)-1-methyl-1H-benzo[d][1,2,3]triazole; |
Density: | 1.66 g/cm3 |
Melting Point: | 120 °C |
Boiling Point: | 355.735 °C at 760 mmHg |
Flash Point: | 168.943 °C |
Hazard Symbols: | R34:Causes burns.; |
Risk Codes: | 34 |
Safety: | 26-36/37/39 |
Transport Information: | 3261 |
PSA: | 30.71000 |
LogP: | 1.86320 |
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The CAS register number of 5-(Bromomethyl)-1-methyl-1H-1,2,3-benzotriazole is 499770-76-2. It also can be called as 5-(Bromomethyl)-1-methyl-1H-benzo[d][1,2,3]triazole and the systematic name about this chemical is 5-(bromomethyl)-1-methylbenzotriazole. The molecular formula about this chemical is C8H8BrN3 and the molecular weight is 226.07.
Physical properties about 5-(Bromomethyl)-1-methyl-1H-1,2,3-benzotriazole are: (1)ACD/LogP: 1.64; (2)ACD/LogD (pH 5.5): 1.638; (3)ACD/LogD (pH 7.4): 1.638; (4)ACD/BCF (pH 5.5): 10.352; (5)ACD/BCF (pH 7.4): 10.352; (6)ACD/KOC (pH 5.5): 185.424; (7)ACD/KOC (pH 7.4): 185.43; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 30.71 Å2; (11)Index of Refraction: 1.685; (12)Molar Refractivity: 51.748 cm3; (13)Molar Volume: 136.156 cm3; (14)Polarizability: 20.515x10-24cm3; (15)Surface Tension: 50.69 dyne/cm; (16)Density: 1.66 g/cm3; (17)Flash Point: 168.943 °C; (18)Enthalpy of Vaporization: 57.722 kJ/mol; (19)Boiling Point: 355.735 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Cn1c2ccc(cc2nn1)CBr
(2)InChI: InChI=1/C8H8BrN3/c1-12-8-3-2-6(5-9)4-7(8)10-11-12/h2-4H,5H2,1H3
(3)InChIKey: OSUZHHPMRAIJDY-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H8BrN3/c1-12-8-3-2-6(5-9)4-7(8)10-11-12/h2-4H,5H2,1H3
(5)Std. InChIKey: OSUZHHPMRAIJDY-UHFFFAOYSA-N