CAS No.136-85-6,5-Methyl-1H-benzotriazole Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	136-85-6
Name:	5-Methyl-1H-benzotriazole
Article Data:	17

Formula:	C₇H₇N₃
Molecular Weight:	133.153
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:	Xn,Xi
Risk Codes:	20/21/22-36/37/38-37
Safety:	26-36-38
PSA:	41.57000
LogP:	1.26630

Synthetic route

: 496-72-0
4-methyl-1,2-diaminobenzene

: 136-85-6
5(6)-methylbenzotriazole

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
Verseifen;

: 72976-72-8
5-methyl-benzotriazole-1-carboxylic acid anilide

: 136-85-6
5(6)-methylbenzotriazole

Conditions

Conditions	Yield
Erhitzen;

: 636-24-8
4-Methyl-benzene-1,2-diamine; hydrochloride

: 136-85-6
5(6)-methylbenzotriazole

Conditions

Conditions	Yield
Diazotization;

: 116577-45-8
Acetic acid 5-methyl-benzotriazol-1-ylmethyl ester

: 136-85-6
5(6)-methylbenzotriazole

Conditions

Conditions	Yield
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

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

Raw Materials

7732-18-5

636-24-8

496-72-0

Downstream Products

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Chemistry

Molecular Formula: C₇H₇N₃Molecular 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

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 NO_x.
Hazard Codes: Xn, Irritant Xi
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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