4-Methyl-1H-benzotriazole

Base Information

Chemical Name:4-Methyl-1H-benzotriazole
CAS No.:29878-31-7
Molecular Formula:C7H7N3
Molecular Weight:133.153
Hs Code.:2933990090
European Community (EC) Number:249-921-1
UNII:QKK8999IZA
DSSTox Substance ID:DTXSID50274037
Nikkaji Number:J57.991B
Wikidata:Q27287307
ChEMBL ID:CHEMBL3184205
Mol file:29878-31-7.mol

Synonyms:29878-31-7;4-Methyl-1H-benzotriazole;4-methyl-1H-1,2,3-benzotriazole;4-Methyl-1H-benzo[d][1,2,3]triazole;4-Tolyltriazole;4-METHYLBENZOTRIAZOLE;Tolytriazole;4-methyl-2H-benzotriazole;1H-Benzotriazole, 4-methyl-;7-Methyl-1H-benzotriazole;Methylbenzotriazole;4-methyl-1,2,3-benzotriazole;7-methyl-1H-benzo[d][1,2,3]triazole;UNII-QKK8999IZA;QKK8999IZA;DTXSID50274037;EINECS 249-921-1;DSSTox_CID_6171;DSSTox_RID_78044;DSSTox_GSID_26171;1H-Benzotriazole,7-methyl-;CAS-29385-43-1;4-METHYL-1H-BENZO(D)(1,2,3)TRIAZOLE;Teltolytriazole;4MeBT;4-methyl-benzotriazole;4-MeBT;4Me-BT;Tolyltriazole (Granular);4-Me-BTR;4-Me-BT;Tolyltriazole 99.0% min;SCHEMBL107037;SCHEMBL446696;CHEMBL3184205;BENZOTRIAZOLE, 4-METHYL-;Tox21_201321;Tox21_303186;1H-BENZOTRIAZOLE, 7-METHYL-;MFCD00035800;STK503394;AKOS023092909;AKOS037652935;7-Methyl-1H-1,2,3-benzotriazole #;FS-5046;NCGC00249024-01;NCGC00249024-02;NCGC00256993-01;NCGC00258873-01;BB 0254273;FT-0638850;FT-0671521;1H-1,2,3-Benzotriazole, 4-(methyl-d3)-;4-Methyl-1H-benzotriazole, analytical standard;C80091;AB01319782-02;EN300-6996464;A876362;Q27287307;Z1198147968

Suppliers and Price of 4-Methyl-1H-benzotriazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
4-Methylbenzotriazole
1g
$ 403.00

TRC
4-Methylbenzotriazole
100mg
$ 135.00

TRC
4-Methylbenzotriazole
1g
$ 960.00

SynQuest Laboratories
4-Methyl-1H-benzotriazole 98%
5 g
$ 920.00

SynQuest Laboratories
4-Methyl-1H-benzotriazole 98%
1 g
$ 224.00

Sigma-Aldrich
4-Methyl-1H-benzotriazole analytical standard
50mg
$ 78.20

Matrix Scientific
4-Methyl-1H-1,2,3-benzotriazole
500mg
$ 126.00

Chemenu
4-Methyl-1H-1,2,3-benzotriazole 95%
5g
$ 373.00

Apolloscientific
4-Methyl-1H-benzotriazole 96%
1g
$ 203.00

Apolloscientific
4-Methyl-1H-benzotriazole 96%
5g
$ 834.00

Total 21 raw suppliers

Chemical Property of 4-Methyl-1H-benzotriazole

Chemical Property:

Melting Point:139-143°C
Boiling Point:289.3 °C at 760 mmHg
PKA:8.74±0.40(Predicted)
Flash Point:137.4 °C
PSA：41.57000
Density:1.273 g/cm³
LogP:1.26630
Storage Temp.:Room temperature.
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:133.063997236
Heavy Atom Count:10
Complexity:126

Purity/Quality:

97% ^*data from raw suppliers

4-Methylbenzotriazole ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/22-36-52/53
Safety Statements: 26-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=CC2=NNN=C12
Uses 4-Methylbenzotriazole is a benzotriazole derivative as corrosion inhibitor. A benzotriazole derivative as corrosion inhibitor. A labelled benzotriazole derivative as corrosion inhibitor.

Technology Process of 4-Methyl-1H-benzotriazole

There total 6 articles about 4-Methyl-1H-benzotriazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 76.0%

: 2687-25-4
3-methyl-1,2-benzenediamine

: 29878-31-7
4-methyl-1H-benzo[d][1,2,3]triazole

Guidance literature:: With acetic acid; sodium nitrite; In water; at 0 - 20 ℃; for 4h;

Reference yield:

: 624-91-9
methyl nitrite

: 2687-25-4
3-methyl-1,2-benzenediamine

: 29878-31-7
4-methyl-1H-benzo[d][1,2,3]triazole

Guidance literature:: In 1,2-dichloro-benzene;

Reference yield:

: 602-01-7
1-methyl-2,3-dinitrobenzene

: 29878-31-7
4-methyl-1H-benzo[d][1,2,3]triazole

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / Pd/C / Ambient temperature

2: NaNO₂, aq. HCl

With hydrogenchloride; hydrogen; sodium nitrite; palladium on activated charcoal;
DOI:10.1002/ardp.19893220802