1-Chloro-2-isocyano-3-methylbenzene

Base Information

• Chemical Name: 1-Chloro-2-isocyano-3-methylbenzene
• CAS No.: 118923-96-9
• Molecular Formula: C8H6 Cl N
• Molecular Weight: 151.595
• European Community (EC) Number: 623-957-1
• DSSTox Substance ID: DTXSID70584403
• Nikkaji Number: J2.526.153D
• Wikidata: Q82476061
• Mol file: 118923-96-9.mol

Synonyms:1-Chloro-2-isocyano-3-methylbenzene;118923-96-9;2-Chloro-6-methylphenyl isocyanide;2-Chloro-6-methylphenyl isocyanide, 97%;2-CHLORO-6-METHYLPHENYL ISOCYANIDE 97;SCHEMBL377159;DTXSID70584403;2-Methyl-6-chlorophenylisonitrile;GS3823;AKOS015912892;EN300-1982044;J-003913

Chemical Property of 1-Chloro-2-isocyano-3-methylbenzene

Chemical Property:

• Melting Point: 58-62 °C(lit.)
• PSA: 0.00000
• LogP: 2.42990
• Storage Temp.: ?20°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 151.0188769
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

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

2-Chloro-6-methylphenyl isocyanide 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)Cl)[N+]#[C-]

Technology Process of 1-Chloro-2-isocyano-3-methylbenzene

There total 3 articles about 1-Chloro-2-isocyano-3-methylbenzene 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:

2-chloro-6-methylaniline (87-63-8) → 2-chloro-6-methylphenyl isocyanide (118923-96-9)

Guidance literature:

Multi-step reaction with 2 steps

2: (i) KOtBu, tBuOH, (ii) POCl₃

Reference yield:

2-Chlor-6-methyl-formanilid (10113-37-8) → 2-chloro-6-methylphenyl isocyanide (118923-96-9)

Guidance literature:

Multistep reaction; (i) KOtBu, tBuOH, (ii) POCl₃;

Reference yield:

chloroform (67-66-3,8013-54-5) + 2-chloro-6-methylaniline (87-63-8) → 2-chloro-6-methylphenyl isocyanide (118923-96-9)

Guidance literature:

With sodium hydroxide; di-isopropyl ether;

upstream raw materials:

chloroform

2-chloro-6-methylaniline

2-Chlor-6-methyl-formanilid

Downstream raw materials:

fac-[Mn(CN-2-chloro-6-methylphenyl)(CO)3(2,2'-bipyridine)]ClO₄

2-{[1-(2-chloro-6-methylphenylcarbamoyl)heptyl]methylamino}ethyl benzoate

C₁₄H₁₁ClN₂O₂

N-(2-chloro-6-methylphenyl)-N-formyl-2-(thiophen-2-yl)acetamide

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