o-Tolunitrile

Base Information Edit

Chemical Name:o-Tolunitrile
CAS No.:529-19-1
Molecular Formula:C8H7N
Molecular Weight:117.15
Hs Code.:29269095
European Community (EC) Number:208-451-7
NSC Number:66549
UN Number:1759
UNII:3048F2A3KT
DSSTox Substance ID:DTXSID6022050
Nikkaji Number:J6.679F
Wikidata:Q22830837
Metabolomics Workbench ID:123361
ChEMBL ID:CHEMBL1361840
Mol file:529-19-1.mol

Synonyms:o-Tolunitrile(8CI);1-Cyano-2-methylbenzene;2-Cyanotoluene;2-Methylbenzenecarbonitrile;2-Methylbenzonitrile;2-Tolunitrile;2-Tolyl cyanide;NSC 66549;o-Cyanotoluene;o-Methylbenzonitrile;o-Toluenecarbonitrile;o-Tolyl cyanide;

Suppliers and Price of o-Tolunitrile

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

Usbiological
o-Tolyl Cyanide
1g
$ 403.00

TRC
o-TolylCyanide
10g
$ 150.00

TCI Chemical
o-Tolunitrile >98.0%(GC)
500g
$ 86.00

TCI Chemical
o-Tolunitrile >98.0%(GC)
25g
$ 20.00

Sigma-Aldrich
o-Tolunitrile ≥97.0% (GC)
250ml
$ 98.50

Medical Isotopes, Inc.
o-TolylCyanide
50 g
$ 725.00

Medical Isotopes, Inc.
o-TolylCyanide
1 g
$ 610.00

Matrix Scientific
o-Tolunitrile 95%+
5g
$ 845.00

Matrix Scientific
o-Tolunitrile 95%+
2.500g
$ 557.00

Matrix Scientific
o-Tolunitrile 95%+
1g
$ 256.00

Total 55 raw suppliers

Chemical Property of o-Tolunitrile Edit

Chemical Property:

Appearance/Colour:clear colorless to slightly yellow liquid
Vapor Pressure:0.243mmHg at 25°C
Melting Point:-13 °C
Refractive Index:n20/D 1.5279(lit.)
Boiling Point:206 °C at 760 mmHg
Flash Point:78 °C
PSA：23.79000
Density:0.989 g/cm³
LogP:1.86668
Storage Temp.:Store below +30°C.
Solubility.:Chloroform (Slightly), Methanol (Slightly)
Water Solubility.:<0.1 g/100 mL at 17℃
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:117.057849228
Heavy Atom Count:9
Complexity:131
Transport DOT Label:Corrosive

Purity/Quality:

99% ^*data from raw suppliers

o-Tolyl Cyanide ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 38-52/53-36/37/38
Safety Statements: 61-37-36-26-24/25

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Nitrogen Compounds -> Nitriles
Canonical SMILES:CC1=CC=CC=C1C#N
Uses o-Tolyl Cyanide, is a versatile intermediate, used in the synthesis of various pharmaceutical and biologically active compounds. It can be used in the preparation of highly efficient triarylene conjugated dyes for sensitized solar cells

Technology Process of o-Tolunitrile

There total 201 articles about o-Tolunitrile 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%

: 95-46-5
2-methylphenyl bromide

: potassium ferrocyanide

: 529-19-1
2-Methylbenzonitrile

Guidance literature:: With sodium carbonate; palladium diacetate; In 1-methyl-pyrrolidin-2-one; Hexadecane; at 140 ℃; for 16h; Product distribution / selectivity;

Reference yield: 96.0%

: 89-95-2
2-methyl-benzyl alcohol

: 529-19-1
2-Methylbenzonitrile

Guidance literature:: With ammonium hydroxide; trans-3,5-dihydroperoxy-3,5-dimethyl-1,2-dioxolane; ammonium bromide; at 20 ℃; for 1.66667h; Green chemistry;
DOI:10.1007/s13738-014-0461-3

Reference yield: 95.7%

: 89-93-0
ortho-methylbenzylamine

: 529-19-1
2-Methylbenzonitrile

Guidance literature:: With C₆₈H₆₄Cl₂N₆P₂Ru₂⁽⁴⁺⁾*2F₆P^(1-)*2Cl^(1-); caesium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 24h; Inert atmosphere; Green chemistry;
DOI:10.1016/j.jcat.2020.09.005