1-Azido-2-chlorobenzene

Base Information

• Chemical Name: 1-Azido-2-chlorobenzene
• CAS No.: 3296-07-9
• Molecular Formula: C6H4ClN3
• Molecular Weight: 153.571
• Hs Code.: 2929909090
• European Community (EC) Number: 667-484-9
• DSSTox Substance ID: DTXSID90464995
• Nikkaji Number: J507.087B
• Wikidata: Q82290615
• Mol file: 3296-07-9.mol

Synonyms:1-azido-2-chlorobenzene;3296-07-9;o-Chlorphenylazid;SCHEMBL15733288;DTXSID90464995;MHTPYRQIAMETSQ-UHFFFAOYSA-N;MFCD11207316;AKOS009324702;LS-12253;EN300-74781;F2157-0480

Chemical Property of 1-Azido-2-chlorobenzene

Chemical Property:

• Flash Point: -33℃
• PSA: 49.75000
• LogP: 2.73456
• Storage Temp.: ?20°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.0093748
• Heavy Atom Count: 10
• Complexity: 153

Purity/Quality:

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

1-Azido-2-chlorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1817911
• Hazard Codes: F,T
• Statements: 11-38-48/23/24/25
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N=[N+]=[N-])Cl

Technology Process of 1-Azido-2-chlorobenzene

There total 16 articles about 1-Azido-2-chlorobenzene 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%

o-chloroaniline (95-51-2) → 1-azido-2-chlorobenzene (3296-07-9)

Guidance literature:

o-chloroaniline; With hydrogenchloride; sodium nitrite; In water; at -5 - 20 ℃; for 0.5h;

With sodium azide; In water; at 0 ℃; for 2h;

Reference yield: 84.0%

1-chloro-2-((di(tert-butyl)(4-(dimethylamino)phenyl)phosphanylidene)triazen-1-yl)benzene → 1-azido-2-chlorobenzene (3296-07-9)

Guidance literature:

With sulfur; In tetrahydrofuran; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b01692

Reference yield: 75.0%

2-iodochlorobenzene (615-41-8) → 1-azido-2-chlorobenzene (3296-07-9)

Guidance literature:

With sodium azide; copper diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dimethyl sulfoxide; at 95 ℃; for 3.5h;

upstream raw materials:

2-chlorobenzenediazonium

o-Chloronitrosobenzene

o-chloroaniline

(2-chlorophenyl)hydrazine

Downstream raw materials:

4-amino-3-chlorophenol

6-chloro-2-tetrahydro-2-thienylaniline

o-chloroaniline

Dimethyldisulphide