5-(Bromomethyl)-1-methyl-1H-1,2,3-benzotriazole supplier

Name
5-(Bromomethyl)-1-methyl-1H-1,2,3-benzotriazole
EINECS
CAS No. 499770-76-2
Article Data2
CAS DataBase
Density 1.66 g/cm³
Solubility
Melting Point 120 °C
Formula C₈H₈BrN₃
Boiling Point 355.735 °C at 760 mmHg
Molecular Weight 226.07
Flash Point 168.943 °C
Transport Information 3261
Appearance
Safety 26-36/37/39
Risk Codes 34
Molecular Structure
Hazard Symbols R34:Causes burns.;
Synonyms 5-(Bromomethyl)-1-methyl-1H-benzo[d][1,2,3]triazole;
PSA 30.71000
LogP 1.86320

5-(Bromomethyl)-1-methyl-1H-1,2,3-benzotriazole Specification

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

Product Name

5-(Bromomethyl)-1-methyl-1H-1,2,3-benzotriazole

5-(Bromomethyl)-1-methyl-1H-1,2,3-benzotriazole Specification

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