3-Chloro-4-methylphenylisocyanide

Base Information

• Chemical Name: 3-Chloro-4-methylphenylisocyanide
• CAS No.: 112675-35-1
• Molecular Formula: C8H6 Cl N
• Molecular Weight: 151.59294
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID90374005
• Wikidata: Q82162442
• Mol file: 112675-35-1.mol

Synonyms:3-Chloro-4-methylphenylisocyanide;112675-35-1;2-chloro-4-isocyano-1-methylbenzene;Benzene, 2-chloro-4-isocyano-1-methyl- (9CI);3-chloro-4-methylphenyl isocyanide;SCHEMBL8921670;DTXSID90374005;BBL020979;STK893685;AKOS001476760;EN300-1177214

Chemical Property of 3-Chloro-4-methylphenylisocyanide

Chemical Property:

• Boiling Point: 65-70 °C(Press: 0.6 Torr)
• PSA: 0.00000
• LogP: 2.42990
• XLogP3: 3.3
• 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:

97% ^*data from raw suppliers

3-Chloro-4-methylphenylisocyanide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloro-4-methylphenylisocyanide

There total 1 articles about 3-Chloro-4-methylphenylisocyanide 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: 36.0%

chloroform (67-66-3,8013-54-5) + 3-chloro-p-toluidine (95-74-9,827571-80-2) → 3-CHLORO-4-METHYLPHENYLISOCYANIDE (112675-35-1)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In dichloromethane; water; at 40 ℃;

DOI:10.1080/10426500802391692

Reference yield: 63.0%

3-CHLORO-4-METHYLPHENYLISOCYANIDE (112675-35-1) → C8H6ClNSe (1028862-12-5)

Guidance literature:

With selenium; In chloroform; at 60 ℃; for 3h;

DOI:10.1080/10426500802391692

upstream raw materials:

chloroform

3-chloro-p-toluidine

Downstream raw materials:

C₈H₆ClNSe

Refernces