1-(Chloromethyl)-1H-benzotriazole

Base Information

Chemical Name:1-(Chloromethyl)-1H-benzotriazole
CAS No.:54187-96-1
Molecular Formula:C7H6ClN3
Molecular Weight:167.598
Hs Code.:2933990090
European Community (EC) Number:626-505-1
DSSTox Substance ID:DTXSID00391501
Nikkaji Number:J465.655E
Wikidata:Q82188998
Mol file:54187-96-1.mol

Synonyms:1-(Chloromethyl)-1H-benzotriazole;54187-96-1;1-(chloromethyl)benzotriazole;1-chloromethyl-1H-benzotriazole;1-(chloromethyl)-1H-benzo[d][1,2,3]triazole;1-Chloromethylbenzotriazole;1H-Benzotriazole, 1-(chloromethyl)-;1-(chloromethyl)-1H-1,2,3-benzotriazole;1-Chloromethyl benzotriazole;SCHEMBL189740;VSEROABGEVRIRY-UHFFFAOYSA-;DTXSID00391501;1-(chlormethyl)-1h-benzotriazole;VSEROABGEVRIRY-UHFFFAOYSA-N;MFCD00216649;AKOS006221476;1-Chloromethyl-1H-1,2,3-benzotriazole;1-(Chloromethyl)-1H-benzotriazole, 98%;CS-0059188;FT-0690720;EN300-303822;InChI=1/C7H6ClN3/c8-5-11-7-4-2-1-3-6(7)9-10-11/h1-4H,5H2

Suppliers and Price of 1-(Chloromethyl)-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

TRC
1-(Chloromethyl)-1H-benzotriazole
50mg
$ 45.00

TCI Chemical
1-(Chloromethyl)-1H-benzotriazole >98.0%(T)
5g
$ 88.00

TCI Chemical
1-(Chloromethyl)-1H-benzotriazole >98.0%(T)
25g
$ 259.00

Sigma-Aldrich
1-(Chloromethyl)-1H-benzotriazole 98%
10g
$ 156.00

Crysdot
1-(Chloromethyl)-1H-benzotriazole 95+%
100g
$ 521.00

Atlantic Research Chemicals
1-(Chloromethyl)-1H-benzotriazole 95%
250mgs:
$ 21.21

American Custom Chemicals Corporation
1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE 95.00%
10G
$ 1244.89

Alichem
1-(Chloromethyl)-1H-benzotriazole
100g
$ 547.05

Alichem
1-(Chloromethyl)-1H-benzotriazole
25g
$ 516.88

Alichem
1-(Chloromethyl)-1H-benzotriazole
5g
$ 175.96

Total 21 raw suppliers

Chemical Property of 1-(Chloromethyl)-1H-benzotriazole

Chemical Property:

Vapor Pressure:0.00144mmHg at 25°C
Melting Point:136-139 °C(lit.)
Refractive Index:1.678
Boiling Point:305.9°C at 760 mmHg
PKA:1.13±0.30(Predicted)
Flash Point:138.8°C
PSA：30.71000
Density:1.42g/cm³
LogP:1.62760
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:167.0250249
Heavy Atom Count:11
Complexity:142

Purity/Quality:

99%, ^*data from raw suppliers

1-(Chloromethyl)-1H-benzotriazole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:C
Statements: 34
Safety Statements: 26-27-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)N=NN2CCl
Uses 1-(Chloromethyl)-1H-benzotriazole can be used as a reactant: In Gewald cyclocondensation reactions. To prepare N-(benzotriazol-1-ylmethyl) heterocycles by reacting with nitrogen heterocycles. To synthesize palladium complexes for applications in Heck and Suzuki-Miyaura C-C coupling reactions. In the synthesis of 2,3-disubstituted benzofurans by treating with o-hydroxyphenyl ketones.

Technology Process of 1-(Chloromethyl)-1H-benzotriazole

There total 6 articles about 1-(Chloromethyl)-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: 95.0%

: 95-14-7,27556-51-0
1,2,3-Benzotriazole

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 54187-96-1
1-(chloromethyl)-1H-benzotriazole

Guidance literature:: With thionyl chloride;
DOI:10.1021/jo010278p

Reference yield: 93.0%

: 28539-02-8
1-Hydroxymethyl-1H-benzotriazole

: 54187-96-1
1-(chloromethyl)-1H-benzotriazole

Guidance literature:: With thionyl chloride; at 0 ℃; for 1h; Heating / reflux;

Reference yield:

: 95-14-7,27556-51-0
1,2,3-Benzotriazole

: 54187-96-1
1-(chloromethyl)-1H-benzotriazole

Guidance literature:: Multi-step reaction with 2 steps

1: H₂O

2: thionyl chloride

With thionyl chloride; water;
DOI:10.1016/S0960-894X(97)00356-9