Benzyl azide

Base Information

• Chemical Name: Benzyl azide
• CAS No.: 622-79-7
• Molecular Formula: C7H7 N3
• Molecular Weight: 133.153
• Hs Code.: 2929909090
• European Community (EC) Number: 680-691-9
• NSC Number: 26304
• UNII: HFD57Z7J9J
• DSSTox Substance ID: DTXSID90211244
• Nikkaji Number: J54.457D
• Wikidata: Q13438697
• ChEMBL ID: CHEMBL3236190
• Mol file: 622-79-7.mol

Synonyms:Benzyl azide;(Azidomethyl)benzene;622-79-7;Benzylazide;Benzene, (azidomethyl)-;azidomethylbenzene;alpha-Azidotoluene;Toluene, .alpha.-azido-;Benzene, azidomethyl-;Benzyl Azide, Pract.;Triazotoluene;azidomethyl-benzene;NSC 26304;.alpha.-Azidotoluene;CCRIS 8029;UNII-HFD57Z7J9J;TOLUENE, alpha-AZIDO-;BRN 1907583;HFD57Z7J9J;CHEMBL3236190;MFCD00013836;NSC-26304;4-05-00-00877 (Beilstein Handbook Reference);a-Azidotoluene;(azidomethyl) benzene;Toluene, alpha-triazo-;Bn-N3;WLN: NNNR B1;(Azidomethyl)benzene, Pract.;LCZC2717;SCHEMBL13437571;Benzene, (azidomethyl)- (9CI);DTXSID90211244;AMY19781;NSC26304;BDBM50573332;STL192368;AKOS005166902;FS-5590;LS-154017;FT-0604862;EN300-82312;10.14272/UDLLFLQFQMACJB-UHFFFAOYSA-N.1;doi:10.14272/UDLLFLQFQMACJB-UHFFFAOYSA-N.1;Q13438697;F1905-6985

Chemical Property of Benzyl azide

Chemical Property:

• Melting Point: 157℃
• Refractive Index: 1.5341
• Boiling Point: 81-83°C 16mm
• Flash Point: 82-85°C/16mm
• PSA: 49.75000
• Density: 1.0655
• LogP: 1.94966
• Storage Temp.: 2-8°C
• Water Solubility.: Insoluble in waterMiscible with ethanol and diethyl ether. Immiscible with water.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 133.063997236
• Heavy Atom Count: 10
• Complexity: 132

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzyl azide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 2-11-48/20/21/22-40
• Safety Statements: 15-17-33-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN=[N+]=[N-]
• Uses: BENZYL AZIDE was used in the synthesis of stable 1,2,3-triazole derivatives. Benzyl azide is used in the synthesis of 1,2,3-triazole derivatives. It serves as a reagent used to introduce a PhCH2N group into a molecule.

Technology Process of Benzyl azide

There total 66 articles about Benzyl azide 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: 100.0%

benzyl chloride (100-44-7) → benzyl azide (622-79-7)

Guidance literature:

With azide ion; highly branchedpolyacrylamide-APTMAI; In water; toluene; at 20 - 70 ℃; for 0.5h;

DOI:10.1007/s13738-012-0214-0

Reference yield: 100.0%

benzyl mesylate (55791-06-5) → benzyl azide (622-79-7)

Guidance literature:

With sodium azide; In DMF (N,N-dimethyl-formamide); for 12h;

Reference yield: 100.0%

benzyl bromide (100-39-0) → benzyl azide (622-79-7)

Guidance literature:

With sodium azide; In various solvent(s); for 168h; Ambient temperature;

DOI:10.1021/ja00202a034

upstream raw materials:

benzyl chloride

iodomethylbenzene

toluene

benzylamine

Downstream raw materials:

1,3'-dibenzyl-5,5'-bis-(1-hydroxy-cyclohexyl)-1H,3'H-[4,4']bi[1,2,3]triazolyl

1-benzyl-4-phenyl-1H-1,2,3-triazol-5-amine

1-benzyl-5-phenyl-1H-1,2,3-triazole-4-carboxylic acid

(1-benzyl-1H-[1,2,3]triazol-4-yl)-cyclohexylmethanol

Refernces

• 1、 Li, Huiping,Liang, Shuqin,Li, Huiying,Shen, Le,Li, Huanxin,Mao, Zhendong. "Measurement and correlation of the solubility of (1-benzyl-1H-1,2,3-triazole-4-yl)methanol in water and alcohols at temperatures from 292.15 K to 310.15 K". . p. 1 - 10. Retrieved 2016.
• 2、 Cleemann, Felix,Karuso, Peter,Kum-Cheung, Wendy Loa. "Combinatorial synthesis of new fluorescent scaffolds using click chemistry". supporting information. . Retrieved 2021/12/08.
• 3、 Kaur, Gurpreet,Rani, Alisha,Saini, Parveen,Singh, Gurjaspreet,Singh, Harminder,Singh, Jandeep,Sushma. "‘Quick CuAAC’ Chemistry for Hg(II) and Mn(II) ion sensing via 9H-carbazole derivatives". . . Retrieved 2021/08/16.