Methallyl isothiocyanate

Base Information

Chemical Name:Methallyl isothiocyanate
CAS No.:41834-90-6
Molecular Formula:C5H7 N S
Molecular Weight:113.183
Hs Code.:2930909090
European Community (EC) Number:629-363-9
NSC Number:168444
DSSTox Substance ID:DTXSID00304939
Nikkaji Number:J2.658.825A
Mol file:41834-90-6.mol

Synonyms:Methallyl isothiocyanate;3-isothiocyanato-2-methylprop-1-ene;41834-90-6;NSC168444;SCHEMBL1457168;DTXSID00304939;SFCQVEDGNZVACI-UHFFFAOYSA-N;Methallyl isothiocyanate, technical;METHALLYL ISOTHIOCYANATE TECH;AKOS000120955;NSC-168444;1-Propene, 3-isothiocyanato-2-methyl-

Suppliers and Price of Methallyl isothiocyanate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

AK Scientific
Methallyl isothiocyanate
5g
$ 993.00

AK Scientific
Methallyl isothiocyanate
25g
$ 2879.00

Sigma-Aldrich
Methallyl isothiocyanate technical
5g
$ 105.00

Total 10 raw suppliers

Chemical Property of Methallyl isothiocyanate

Chemical Property:

Vapor Pressure:1.78mmHg at 25°C
Refractive Index:n20/D 1.524(lit.)
Boiling Point:69 °C20 mm Hg(lit.)
Flash Point:134 °F
PSA：44.45000
Density:0.993 g/mL at 25 °C(lit.)
LogP:1.66530
Storage Temp.:2-8°C
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:113.02992040
Heavy Atom Count:7
Complexity:111

Purity/Quality:

99% ^*data from raw suppliers

Methallyl isothiocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 10-20/21/22-36/37/38-42
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(=C)CN=C=S

Technology Process of Methallyl isothiocyanate

There total 13 articles about Methallyl isothiocyanate 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: 63.0%