Phenylcarbylamine chloride

Base Information

• Chemical Name: Phenylcarbylamine chloride
• CAS No.: 622-44-6
• Molecular Formula: C7H5 Cl2 N
• Molecular Weight: 174.029
• Hs Code.: 2903999090
• European Community (EC) Number: 210-735-0
• NSC Number: 2051
• UN Number: 1672
• UNII: 84XDL272K2
• DSSTox Substance ID: DTXSID6074833
• Nikkaji Number: J34.567I
• Wikipedia: Phenylcarbylamine_chloride
• Wikidata: Q27269563
• Mol file: 622-44-6.mol

Synonyms:phenyl isocyanide dichloride

Chemical Property of Phenylcarbylamine chloride

Chemical Property:

• Appearance/Colour: colourless to light yellow liquid
• Vapor Pressure: 0.351mmHg at 25°C
• Melting Point: 19.5°C
• Refractive Index: n20/D 1.571(lit.)
• Boiling Point: 103 - 106 C at 30 mm Hg
• PKA: -1.12±0.50(Predicted)
• Flash Point: 175 F
• PSA: 12.36000
• Density: 1,26 g/cm3
• LogP: 3.15170
• Storage Temp.: 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 172.9799046
• Heavy Atom Count: 10
• Complexity: 124
• Transport DOT Label: Poison Inhalation Hazard

Purity/Quality:

99% ^*data from raw suppliers

Phenyl isocyanide dichloride 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Toxic by inhalation and skin absorption, strong irritant to skin and mucous membranes.
• Hazard Codes: T
• Statements: 20/21/22-35-36/37-36/37/38-23-22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: C1=CC=C(C=C1)N=C(Cl)Cl

Technology Process of Phenylcarbylamine chloride

There total 17 articles about Phenylcarbylamine chloride 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: 85.0%

phenyl isothiocyanate (103-72-0) → phenylcarbonimidic dichloride (622-44-6)

Guidance literature:

With chlorine; In tetrachloromethane; at 0 ℃;

DOI:10.1080/00397919708004134

Reference yield: 21.2%

tetrachloromethane (56-23-5) + aniline (62-53-3) → N,N',N''-triphenylguanidine (101-01-9) + diphenyl hydrazine (122-66-7) + phenylcarbonimidic dichloride (622-44-6) + Azobenzene (1227476-15-4) + N-phenylphenylene-1,4-diamine (101-54-2) + N-phenyl-1,2-benzenediamine (534-85-0)

Guidance literature:

at 15 ℃; for 24h; Product distribution; Mechanism; Irradiation; also in methanol and 1,4-dioxane;

Reference yield:

thionyl chloride (7719-09-7) + chloroform (67-66-3,8013-54-5) + chlorine (7782-50-5) + Formanilid (103-70-8) → 2,4-dichlorophenyl isocyanide dichloride (2666-70-8) + phenylcarbonimidic dichloride (622-44-6) + N-(2,4-dichlorophenyl)-formamide (22923-00-8) + N-dichloromethylene-4-chloroaniline (2771-67-7)

Guidance literature:

upstream raw materials:

phenyl isocyanate

phenyl isothiocyanate

Formanilid

S-chloro-N-phenylisothiocarbamoyl chloride

Downstream raw materials:

Diethyldithioimidocarbonat

Ethylthiochlorformimidat

N-phenyl-N'-p-tolyl-[1,3,4]thiadiazole-2,5-diamine

Refernces

• 1、 Agrawal,Deshmukh. "Synthesis and antimicrobial activity of 2-phenylimino-3-aryl-4-S-benzyl-6- hepta-O-benzoyl-β-D-lactosylimino-2,3-dihydro-1,3,5-thiadiazine hydrochlorides". experimental part. p. 1259 - 1262. Retrieved 2011/12/15.
• 2、 Dalby, Kevin N.,Jencks, William P.. "Lifetimes of imidinium ions in aqueous solution". . p. 7271 - 7280. Retrieved 2007/10/03.