Chloroprene

Base Information

• Chemical Name: Chloroprene
• CAS No.: 126-99-8
• Deprecated CAS: 184963-09-5
• Molecular Formula: C4H5Cl
• Molecular Weight: 88.5367
• European Community (EC) Number: 204-818-0
• ICSC Number: 0133
• NSC Number: 18589
• UN Number: 1991
• UNII: 42L93DWV3A
• DSSTox Substance ID: DTXSID5020316
• Nikkaji Number: J384K
• Wikipedia: Chloroprene
• Wikidata: Q410871
• NCI Thesaurus Code: C44356
• Metabolomics Workbench ID: 56322
• ChEMBL ID: CHEMBL555660
• Mol file: 126-99-8.mol

Synonyms:Chloroprene

Chemical Property of Chloroprene

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Melting Point: -130 °C
• Refractive Index: 1.445
• Boiling Point: 59.399 °C at 760 mmHg
• Flash Point: -8.827 °C
• PSA: 0.00000
• Density: 0.923 g/cm³
• LogP: 1.92490
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 88.0079779
• Heavy Atom Count: 5
• Complexity: 54.7
• Transport DOT Label: Flammable Liquid Poison

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F, T
• Hazard Codes: F, T

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Other Monomers
• Canonical SMILES: C=CC(=C)Cl
• Inhalation Risk: A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is severely irritating to the eyes. The substance is irritating to the skin and respiratory tract. Exposure at high levels could cause lung oedema. The substance may cause effects on several organs. This may result in impaired functions. Exposure above the OEL could cause death.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis and hair loss. The substance may have effects on multiple organs. This may result in impaired functions. This substance is possibly carcinogenic to humans.

Technology Process of Chloroprene

There total 55 articles about Chloroprene 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:

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 1,4-dichloro-2-butene (764-41-0) + meso-1,2,3,4-tetrachlorobutane (28507-96-2) + racem.-1,2,3,4-Tetrachlorbutan (3405-32-1,28507-96-2,52134-24-4) + 3,4-dichlorobut-1-ene (310447-99-5,310448-01-2,64037-54-3) + 1-chloro-1E,3-butadiene (16503-25-6) + chloroprene (126-99-8,14523-89-8,9010-98-4)

Guidance literature:

With chlorine; ethyltriphenylphosphonium bromide; In tetrachloromethane; at 40 - 120 ℃; Product distribution; effect of the nature and amount of catalyst, reagent ratio;

Reference yield:

3,4-dichlorobut-1-ene (310447-99-5,310448-01-2,64037-54-3) → 1-chloroprene (627-22-5) + chloroprene (126-99-8,14523-89-8,9010-98-4)

Guidance literature:

With sodium hydroxide; In water; for 7h; Heating;

Reference yield:

1,1-dichloro-2-methylcyclopropane (1727-64-6) → 2,3-dichlorobut-1-ene (7013-11-8) + chloroprene (126-99-8,14523-89-8,9010-98-4) + 1,2-dichloro-2-butene (13602-13-6)

Guidance literature:

at 500 ℃;

DOI:10.1039/j39690000165

upstream raw materials:

3-buten-1-yne

2-chloro-but-2-ene

chloroethylene

1,2,4-trichlorobutane

Downstream raw materials:

4-Chlor-1,2,3,6-tetrahydro-phthalsaeure

(+/-)-4-chloro-cyclohexene-⁽⁴⁾-dicarboxylic acid-(1r.2c)

(+/-)-5-chloro-2-phenyl-(3ar,7ac)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

(methyl)(4-chlorocyclohex-3-en-1-yl)ketone