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5-Methylbenzotriazole

5-Methylbenzotriazole structure

CAS No:
136-85-6
Formula:
C7H7N3
Chemical Name:
5-Methylbenzotriazole
Synonyms:
1H-Benzotriazole,6-methyl-;1H-Benzotriazole,5-methyl-;Benzotriazole,5-methyl-;6-Methyl-1H-benzotriazole;5-Methylbenzotriazole;5-Methyl-1,2,3-benzotriazole;6-Methyl-1,2,3-benzotriazole;Tolutriazole;5-Methyl-1H-benzotriazole;6-Tolyltriazole;TTA;5-Tolyltriazole;NSC 122012;5-Methyl-1H-benzo[d][1,2,3]triazole;5M-BTA;Verzone VT 120M;5MBT;49636-02-4
Categories:
Water Treatment Chemical > Corrosion Inhibitor

Description

cream to beige crystalline powderChEBI: A member of the class of benzotriazoles that is 1H-benzotriazole substituted by a methyl group at position 5.

5-methyl-1H-benzotriazole is a member of the class of benzotriazoles that is 1H-benzotriazole substituted by a methyl group at position 5. It has a role as a xenobiotic and an environmental contaminant.

5-Methylbenzotriazole Basic Attributes

Molecular Weight：

133.15

Exact Mass：

133.15

BRN：

116658

EC Number：

205-265-8

UNII：

O9DI72TU6U

NSC Number：

122012

DSSTox ID：

DTXSID1038743

HScode：

29339900

Characteristics

PSA：

41.6

XLogP3：

1.4

Appearance：

Cream to beige Crystalline Powder

Density：

1.1873 (rough estimate)

Melting Point：

80-82 °C(lit.)

Boiling Point：

210-212 °C12 mm Hg(lit.)

Flash Point：

210-212°C/12mm

Refractive Index：

1.5341 (estimate)

Water Solubility：

6.0 g/L (25 ºC)

Storage Conditions：

Refrigerator

Collision Cross Section：

124.64 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38-37-22

safety instructions：

26-36-38

RTECS Number：

DM1400000

Marks：

Xn,Xi

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (98.91%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 93 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-methyl-1H-benzotriazole

5-Methylbenzotriazole Use and Manufacturing

Methods of Manufacturing

Similar to the preparation method of benzotriazole, it can be obtained by diazotization and cyclization of toluene diamine. An older method is obtained by the reaction of m-toluidine diazonium salt with p-toluenesulfonamide.

Uses

A potential nitrification inhibitor of urea fertilizer in agricultural soils.

Manufacturing Info：

1H-Benzotriazole, 6-methyl-: ACTIVE

Computed Properties

Molecular Weight:133.15
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:133.063997236
Monoisotopic Mass:133.063997236
Topological Polar Surface Area:41.6
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Methylbenzotriazole

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Learn More Other Chemicals

5-Methylbenzotriazole

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