3-Chloropropyl isocyanate

Base Information

• Chemical Name: 3-Chloropropyl isocyanate
• CAS No.: 13010-19-0
• Molecular Formula: C4H6ClNO
• Molecular Weight: 119.551
• Hs Code.: 29291090
• Mol file: 13010-19-0.mol

Synonyms:Isocyanicacid, 3-chloropropyl ester (6CI,7CI,8CI);1-Chloro-3-isocyanatopropane;Propane,1-chloro-3-isocyanato-;

Chemical Property of 3-Chloropropyl isocyanate

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 2.95mmHg at 25°C
• Refractive Index: n20/D 1.452(lit.)
• Boiling Point: 156 °C at 760 mmHg
• Flash Point: 58.7 °C
• PSA: 29.43000
• Density: 1.1 g/cm³
• LogP: 0.95110
• Sensitive.: Moisture Sensitive

Purity/Quality:

99% ^*data from raw suppliers

3-Chloropropyl isocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37
• Safety Statements: 23-26-27-28-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 3-Chloropropyl isocyanate has been used in the preparation of: 9,10-dimethoxy- and 9,10-diethoxy-5H-2,3,7,8,12b,13-hexahydroimidazo[1′,2′:3,4]pyrimido[6,1-a]isoquinolin-5-one11,12-dimethoxy- and 11,12-diethoxy-2H,6H-3,4,8,9,13b,14-hexahydropyrimido[1′,2′:3,4]pyrimido[6,1-a]isoquinoline-6-oneN-[N′-(3-chloropropyl)-N′-nitrosocarbamoyl]-L-proline1,3-oxazino[2,3-b]quinazolines via coupling with anthranilamide

Technology Process of 3-Chloropropyl isocyanate

There total 8 articles about 3-Chloropropyl 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: 100.0%

C4H6ClN3O (113986-30-4) → 3-Chloropropyl isocyanate (13010-19-0)

Guidance literature:

Heating;

DOI:10.1016/j.bmc.2009.04.003

Reference yield:

phosgene (75-44-5) + 3-methoxypropylamine (5332-73-0) + 1-Chloronaphthalene (90-13-1) → 3-Chloropropyl isocyanate (13010-19-0) + 1,3-Dichloropropane (142-28-9)

Guidance literature:

at 140 - 150 ℃; das Hydrochlorid reagiert;

Reference yield:

4-Chlorobutanoyl chloride (4635-59-0) → 3-Chloropropyl isocyanate (13010-19-0)

Guidance literature:

With tetrabutylammoniun azide; In toluene;

upstream raw materials:

(3-chloro-propyl)-carbamic acid ethyl ester

phosgene

toluene

3-methoxypropylamine

Downstream raw materials:

2-<(3-chloropropyl)aminocarbonyloxy>benzonitrile

C₁₂H₁₂ClF₆N₃O

1-(3-Chloro-propyl)-3-{3-[3-(3-chloro-propyl)-ureido]-2-methoxy-5-methyl-phenyl}-urea

1,3-bis<3-(tetrahydro-2-pyrimidonyl)phenyl>tertrahydro-2-pyrimidone

Refernces