o-Tolyl isocyanate

Base Information Edit

Chemical Name:o-Tolyl isocyanate
CAS No.:614-68-6
Molecular Formula:C8H7 N O
Molecular Weight:133.15
Hs Code.:29299010
European Community (EC) Number:210-389-0
DSSTox Substance ID:DTXSID7052286
Nikkaji Number:J45.638A
Wikidata:Q26840841
Metabolomics Workbench ID:60979
Mol file:614-68-6.mol

Synonyms:o-Tolyl isocyanate;614-68-6;2-Methylphenyl isocyanate;1-Isocyanato-2-methylbenzene;2-Tolyl isocyanate;Benzene, 1-isocyanato-2-methyl-;2-methylphenylisocyanate;o-Methylphenyl isocyanate;o-Toluene isocyanate;o-tolylisocyanate;Isocyanic acid, o-tolyl ester;1-isocyanato-2-methyl-benzene;2-toluene isocyanate;EINECS 210-389-0;AI3-28255;2-tolylisocyanate;o-tolyl-isocyanate;o-toluyl isocyanate;ortho-Tolylisocyanate;2-methyl phenylisocyanate;2methyl phenyl isocyanate;2-methyl phenyl isocyanate;(2-Methylphenyl) isocyanate;SCHEMBL93287;Isocyanic Acid o-Tolyl Ester;o-Tolyl isocyanate, >=99%;1-Isocyanato-2-methylbenzene #;DTXSID7052286;CHEBI:60099;VAYMIYBJLRRIFR-UHFFFAOYSA-;BBL100039;MFCD00002009;STL299674;AKOS000170052;AS-57003;LS-30392;Isocyanic acid, o-tolyl ester (7CI,8CI);FT-0612699;FT-0631937;T0320;D78369;EN300-146747;Q26840841;F2190-0555

Suppliers and Price of o-Tolyl isocyanate

Supply Marketing:Edit

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

TRC
o-Tolyl isocyanate
10g
$ 125.00

TRC
o-Tolyl isocyanate
5g
$ 85.00

TRC
o-Tolyl isocyanate
1g
$ 55.00

TCI Chemical
o-Tolyl Isocyanate >98.0%(GC)
5g
$ 32.00

TCI Chemical
o-Tolyl Isocyanate >98.0%(GC)
25g
$ 94.00

SynQuest Laboratories
2-Methylphenyl isocyanate
25 g
$ 168.00

Sigma-Aldrich
o-Tolyl isocyanate ≥99%
50g
$ 264.00

Sigma-Aldrich
o-Tolyl isocyanate ≥99%
10g
$ 60.60

Oakwood
2-Methylphenylisocyanate 98%
5g
$ 29.00

Matrix Scientific
2-Methylphenyl isocyanate 97%
1g
$ 66.00

Total 33 raw suppliers

Chemical Property of o-Tolyl isocyanate Edit

Chemical Property:

Appearance/Colour:clear colorless to light yellow liquid
Vapor Pressure:0.689mmHg at 25°C
Refractive Index:n20/D 1.535(lit.)
Boiling Point:185.7 °C at 760 mmHg
Flash Point:92 ºC
PSA：29.43000
Density:1.074
LogP:1.96230
Sensitive.:Moisture Sensitive
Water Solubility.:Hydrolyzes in water.
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:133.052763847
Heavy Atom Count:10
Complexity:149

Purity/Quality:

98% ^*data from raw suppliers

o-Tolyl isocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn,Xi
Statements: 20/21/22-36/37/38-42
Safety Statements: 23-26-45-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1=CC=CC=C1N=C=O
Uses o-?Tolyl Isocyanate is a reagent used in the synthesis of beta-lactams with a 4-?alkylidene side chain attached which displays antibacterial activity.

Technology Process of o-Tolyl isocyanate

There total 24 articles about o-Tolyl 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: 85.0%