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5-Methyl-1H-benzotriazole
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Name

5-Methyl-1H-benzotriazole

 EINECS 205-265-8
CAS No. 136-85-6 Density 1.273 g/cm3
PSA 41.57000 LogP 1.26630
Solubility water: 6.0 g/L (25 °C) Melting Point 80-82 °C(lit.)
Formula C7H7N3 Boiling Point 289.3 °C at 760 mmHg
Molecular Weight 133.153 Flash Point 137.4 °C
Transport Information N/A Appearance cream to beige crystalline powder
Safety 26-36-38 Risk Codes 20/21/22-36/37/38-37
Molecular Structure Molecular Structure of 136-85-6 (5-Methyl-1H-benzotriazole) Hazard Symbols HarmfulXn,IrritantXi
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;

Article Data 17

5-Methyl-1H-benzotriazole Synthetic route

496-72-0

4-methyl-1,2-diaminobenzene

136-85-6

5(6)-methylbenzotriazole

Conditions
ConditionsYield
With K10 Montmorillonite Clay; sodium nitrite In neat (no solvent, solid phase) at 110℃; for 1h; Microwave irradiation; Green chemistry;98%
With tert.-butylnitrite In acetonitrile at 27 - 29℃; for 0.25h;93%
With acetic acid In water at 70 - 80℃; for 0.533333h;80%

1-azido-2-bromo-4- methylbenzene

136-85-6

5(6)-methylbenzotriazole

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane at -85 - 20℃;87%
122099-10-9

1-azido-2-iodo-4-methyl-benzene

136-85-6

5(6)-methylbenzotriazole

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane at -85 - 20℃;82%
26198-27-6

5-methyl-1H-benzo[d][1,2,3]triazol-1-ol

136-85-6

5(6)-methylbenzotriazole

Conditions
ConditionsYield
With 2,3-dimethyl-2,3-butane diol; bis(N,N-dimethylacetamide)dichloridodioxidomolybdenum(VI) In N,N-dimethyl acetamide at 120℃; for 0.25h; Temperature; Microwave irradiation; Sealed tube; Green chemistry;81%
262373-15-9

4-methyl-2-(trimethylsilyl)phenyl trifluoromethanesulfonate

136-85-6

5(6)-methylbenzotriazole

Conditions
ConditionsYield
With sodium azide; 18-crown-6 ether; cesium fluoride In acetonitrile at 70℃; for 12h; Inert atmosphere;51%
129354-65-0

6-Methyl-1-acetylbenzotriazole

136-85-6

5(6)-methylbenzotriazole

Conditions
ConditionsYield
Verseifen;
72976-72-8

5-methyl-benzotriazole-1-carboxylic acid anilide

136-85-6

5(6)-methylbenzotriazole

Conditions
ConditionsYield
Erhitzen;
636-24-8

4-Methyl-benzene-1,2-diamine; hydrochloride

136-85-6

5(6)-methylbenzotriazole

Conditions
ConditionsYield
Diazotization;
116577-45-8

Acetic acid 5-methyl-benzotriazol-1-ylmethyl ester

136-85-6

5(6)-methylbenzotriazole

Conditions
ConditionsYield
With sodium metabisulfite; sodium sulfite In water; acetonitrile at 25℃; Rate constant; absence of sulfites;
96026-15-2

4-Oxo-pentanoic acid 5-methyl-benzotriazol-1-ylmethyl ester

136-85-6

5(6)-methylbenzotriazole

Conditions
ConditionsYield
With sodium metabisulfite; sodium sulfite In water; acetonitrile at 25℃; Rate constant; absence of sulfites;

5-Methyl-1H-benzotriazole Chemical Properties

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/cm3 
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
 

5-Methyl-1H-benzotriazole 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.

5-Methyl-1H-benzotriazole Production

 It is derived with Toluene diamine by diazotization and cyclization.

5-Methyl-1H-benzotriazole 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,

5-Methyl-1H-benzotriazole Consensus Reports

Reported in EPA TSCA Inventory.

5-Methyl-1H-benzotriazole 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 .

5-Methyl-1H-benzotriazole 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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