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5-Methyl-1H-benzotriazole Structure

5-Methyl-1H-benzotriazole

Chemical Properties

Melting point 80-82 °C(lit.)
Boiling point 210-212 °C12 mm Hg(lit.)
Density  1.1873 (rough estimate)
vapor pressure  0.001Pa at 25℃
refractive index  1.5341 (estimate)
Flash point 210-212°C/12mm
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
pka 8.74±0.40(Predicted)
form  Crystalline Powder
color  Cream to beige
Water Solubility  6.0 g/L (25 ºC)
λmax 276nm(H2O)(lit.)
BRN  116658
InChI 1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
InChIKey LRUDIIUSNGCQKF-UHFFFAOYSA-N
SMILES Cc1ccc2[nH]nnc2c1
CAS DataBase Reference 136-85-6(CAS DataBase Reference)
NIST Chemistry Reference 1H-benzotriazole, 5-methyl-(136-85-6)
EPA Substance Registry System 5-Tolyltriazole (136-85-6)

Safety Information

Hazard Codes  Xn,Xi
Risk Statements  20/21/22-36/37/38-37-22
Safety Statements  26-36-38
WGK Germany  3
RTECS  DM1400000
TSCA  TSCA listed
HS Code  29339900
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Toxicity guinea pig,LD50,skin,> 1gm/kg (1000mg/kg),Kodak Company Reports. Vol. 21MAY1971,

MSDS

Usage And Synthesis

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