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Basic information

  • Name:
  • 1H-Benzotriazole,6-methyl-

  • Superlist Name:
  • 5-Methyl-1H-benzotriazole
  • CAS No.:
  • 136-85-6

  • Molecular Structure:
  • Formula:
  • C7H7N3
  • Molecular Weight:
  • 133.15
  • Deleted CAS:
  • 49636-02-4
  • Synonyms:
  • 1H-Benzotriazole,5-methyl- (8CI,9CI);Benzotriazole, 5-methyl- (6CI,7CI);5-Methyl-1,2,3-benzotriazole;5-Methyl-1H-benzo[d][1,2,3]triazole;5-Methylbenzotriazole;5-Tolyltriazole;6-Methyl-1,2,3-benzotriazole;6-Tolyltriazole;Tolutriazole;
  • EINECS:
  • 205-265-8
  • Density:
  • 1.273 g/cm3
  • Melting Point:
  • 80-82 °C(lit.)
  • Boiling Point:
  • 289.3 °C at 760 mmHg
  • Flash Point:
  • 137.4 °C
  • Solubility:
  • water: 6.0 g/L (25 °C)
  • Appearance:
  • cream to beige crystalline powder
  • Hazard Symbols:
  • HarmfulXn,IrritantXi
  • Risk Codes:
  • 20/21/22-36/37/38-37
  • Safety Description:
  • 26-36-38 Details

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Chemistry

Molecular Formula: C7H7N3
Molecular Weight: 133.15g/mol.
Melting Point: 80-82 °C(lit.)
Flash Point: 137.4 °C
Boiling Point: 289.3 °C at 760 mmHg 
Water Solubility: 6.0 g/L (25 °C)
Index of Refraction: 1.68 
Molar Refractivity: 39.53 cm3 
Molar Volume: 104.5 cm3 
Surface Tension: 64.7 dyne/cm 
Density: 1.273 g/cm
Enthalpy of Vaporization: 52.86 kJ/mol 
Vapour Pressure: 0.00222 mmHg at 25 °C
Structure of 5-Methyl-1H-benzotriazole (CAS NO.136-85-6): 
                   
IUPAC Name: 5-Methyl-2H-benzotriazole
Canonical SMILES: CC1=CC2=NNN=C2C=C1
InChI: 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
Product Category of 5-Methyl-1H-benzotriazole (CAS NO.136-85-6): Industrial/Fine Chemicals;Benzotriazoles;Heterocyclic Building Blocks
 

Uses

 5-Methyl-1H-benzotriazole (CAS NO.136-85-6) is mainly used as antitrust and corrosion inhibitor for metals and for antitrust oil products.

Production

 It is derived with Toluene diamine by diazotization and cyclization.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 1gm/kg (1000mg/kg)   Kodak Company Reports. Vol. 21MAY1971,
rat LD50 oral 1600mg/kg (1600mg/kg)   Kodak Company Reports. Vol. 21MAY1971,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: Xn,IrritantXi
Risk Statements: 20/21/22-36/37/38-37-22
20/21/22: Harmful by inhalation, in contact with skin and if swallowed 
36/37/38: Irritating to eyes, respiratory system and skin 
37: Irritating to the respiratory system 
22: Harmful if swallowed  
Safety Statements: 26-36-38
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36: Wear suitable protective clothing 
38: In case of insufficient ventilation, wear suitable respiratory equipment 
WGK Germany: 3
RTECS: DM1400000 .

Specification

 5-Methyl-1H-benzotriazole (CAS NO.136-85-6) is also named Tolytriazole ; 1H-Benzotriazole,5-methyl- ; 5-Methyl-1H-1,2,3-benzotriazole ; 5-Methyl-1H-benzo-1,2,3-triazole ; m-Tolylazoimide ; Retrocure G ; and Vulkalent TM . It should be stored  in aeration, dryness place, and it can't be mixed with food and seed.

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