2-Chlorophenyl isocyanate

Base Information

• Chemical Name: 2-Chlorophenyl isocyanate
• CAS No.: 3320-83-0
• Molecular Formula: C7H4ClNO
• Molecular Weight: 153.568
• Hs Code.: 29291090
• European Community (EC) Number: 222-023-7,257-001-6
• NSC Number: 8761
• DSSTox Substance ID: DTXSID5062974
• Nikkaji Number: J30.178G
• Mol file: 3320-83-0.mol

Synonyms:2-Chlorophenyl isocyanate;3320-83-0;1-Chloro-2-isocyanatobenzene;o-Chlorophenyl isocyanate;1-Chloro-2-isocyanato-benzene;2-Chlorophenylisocyanate;Benzene, 1-chloro-2-isocyanato-;Isocyanic acid, o-chlorophenyl ester;Benzene, chloroisocyanato-;NSC 8761;EINECS 222-023-7;MFCD00001999;EC 222-023-7;Chloroisocyanatobenzene;Isocyanic Acid 2-Chlorophenyl Ester;chlorophenylisocyanate;51134-03-3;o-chlorophenylisocyanate;2-chiorophenyl isocyanate;2-chloro phenylisocyanate;2-chloro phenyl isocyanate;2-chloro-phenyl isocyanate;SCHEMBL93270;2-chloro-1-isocyanatobenzene;1-chloro-2-isocyanato benzene;2-chloro-1-isocyanato benzene;2-chloro-1-isocyanato-benzene;1-Chloro-2-isocyanatobenzene #;DTXSID5062974;2-Chlorophenyl isocyanate, 98%;NOHQUGRVHSJYMR-UHFFFAOYSA-;NSC8761;NSC-8761;EINECS 257-001-6;STL185624;AKOS000120741;PS-10307;A5924;FT-0634775;I0120;EN300-20935;C13353;W-106783;F1945-0011

Chemical Property of 2-Chlorophenyl isocyanate

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 0.58mmHg at 25°C
• Melting Point: 2-4 °C
• Refractive Index: 1.5565-1.5585
• Boiling Point: 189.1 °C at 760 mmHg
• Flash Point: 65.6 °C
• PSA: 29.43000
• Density: 1.2 g/cm³
• LogP: 2.30730
• Sensitive.: Moisture Sensitive/Lachrymatory
• Solubility.: Decomposes
• Water Solubility.: Decomposes
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.9981414
• Heavy Atom Count: 10
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

2-Chlorophenyl isocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, C
• Hazard Codes: T,C,N,T+
• Statements: 42-36/37/38-23/24/25-42/43-34-20/21/22-51/53-26
• Safety Statements: 45-38-36/37/39-28A-26-23-61-28

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N=C=O)Cl
• Uses: 2-Chlorophenyl isocyanate has been used:as standard to investigate the photocatalytic degradation of Monuron over TiO2 suspensionsin the preparation of 2-(2-chlorophenylamino)-3,5-dihydro-5,5-dimethyl-3-phenyl-6H-imidazo[1,2-b]-1,2,4-triazol-6-onein synthesis of pentenylated β-cyclodextrin chlorophenyl carbamates

Technology Process of 2-Chlorophenyl isocyanate

There total 17 articles about 2-Chlorophenyl isocyanate 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: 77.0%

bis(trichloromethyl) carbonate (32315-10-9) + o-chloroaniline (95-51-2) → o-chlorophenyl isocyanate (3320-83-0)

Guidance literature:

In chloroform; at 20 ℃; for 1.5h; Cooling with ice;

DOI:10.1038/ja.2016.42

Reference yield: 68.41%

→ o-chlorophenyl isocyanate (3320-83-0)

Guidance literature:

In 1,2-dichloro-ethane; at 0 - 20 ℃; Reflux;

Reference yield: 17.0%

3,4-bis(2-chlorophenyl)-1,2,5-oxadiazole 2-oxide (168481-89-8) → 1-chloro-2-(2'-chlorophenylethynyl)-benzene (5293-77-6) + o-chlorophenyl isocyanate (3320-83-0)

Guidance literature:

In acetone; for 48h; Ambient temperature; Irradiation;

DOI:10.1246/cl.1998.859

upstream raw materials:

benzyl (2-chlorophenyl)carbamate

ethanolamine

phosgene

o-chloroaniline

Downstream raw materials:

N-(2-chlorophenyl)morpholine-4-carboxamide

(2-chloro-phenyl)-carbamic acid-(5-methyl-2-phenyl-2H-pyrazol-3-yl ester)

9-(2-chloro-phenyl)-uric acid

1-(2-chloro-phenyl)-3-(4,5-dihydro-thiazol-2-yl)-urea

Refernces

• 1、 -. "Sulfonylurea dehydroabietate compound and preparation method and application thereof". Paragraph 0114; 0116; 0120. . Retrieved 2019/02/04.
• 2、 Shi, Zhi-Hao,Liu, Feng-Tao,Tian, Hao-Zhong,Zhang, Yan-Min,Li, Nian-Guang,Lu, Tao. "Design, synthesis and structure-activity relationship of diaryl-ureas with novel isoxazol[3,4-b]pyridine-3-amino-structure as multi-target inhibitors against receptor tyrosine kinase". . p. 4735 - 4744. Retrieved 2018/08/21.