1,3-Phenylenediacetonitrile

Base Information Edit

Chemical Name:1,3-Phenylenediacetonitrile
CAS No.:626-22-2
Molecular Formula:C10H8N2
Molecular Weight:156.187
Hs Code.:29269095
European Community (EC) Number:210-936-3
NSC Number:77095
UNII:P3W7U10SP7
DSSTox Substance ID:DTXSID10211645
Nikkaji Number:J55.007H
Wikidata:Q72501730
Mol file:626-22-2.mol

Synonyms:1,3-Phenylenediacetonitrile;626-22-2;1,3-Benzenediacetonitrile;m-Phenylenediacetonitrile;2,2'-(1,3-Phenylene)diacetonitrile;m-Benzenediacetonitrile;m-Xylylene dicyanide;Acetonitrile, m-phenylenedi-;m-Bis(cyanomethyl)benzene;1,3-Bis(cyanomethyl)benzene;2-[3-(cyanomethyl)phenyl]acetonitrile;13-Phenylenediacetonitrile;NSC 77095;EINECS 210-936-3;BRN 3240670;P3W7U10SP7;NSC-77095;1,3-Bis-(cyanomethyl)-benzene;m-Xylylene Cyanide;MFCD00001915;meta-xylylene dicyanide;Maybridge1_002378;1,3-benzene diacetonitrile;WLN: NC1R C1CN;UNII-P3W7U10SP7;1,3-phenylene-diacetonitrile;alpha,alpha'-Dicyano-m-xylene;DivK1c_001130;SCHEMBL237972;M-PHENYLENEBISACETONITRILE;HMS548E02;DTXSID10211645;1,3-Phenylenediacetonitrile, 98%;NSC77095;(3-Cyanomethyl-phenyl)-acetonitrile;2,2-(1,3-Phenylene)diacetonitrile;CCG-48284;AKOS015917455;CS-W018008;CDS1_000090;s10065;AS-19261;A8658;AM20040894;FT-0606572;X0002;Tert-butylN-(2-hydroxy-1-methoxyEthyl)carbamate;SR-01000637839-1;W-104979

Suppliers and Price of 1,3-Phenylenediacetonitrile

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

TCI Chemical
m-Xylylene Dicyanide >98.0%(GC)
25g
$ 447.00

Sigma-Aldrich
1,3-Phenylenediacetonitrile 98%
5g
$ 44.70

Crysdot
2,2'-(1,3-Phenylene)diacetonitrile 97%
500g
$ 627.00

American Custom Chemicals Corporation
1,3-PHENYLENEDIACETONITRILE 95.00%
25G
$ 1181.90

Alichem
2,2'-(1,3-Phenylene)diacetonitrile
500g
$ 664.62

AK Scientific
1,3-Phenylenediacetonitrile
5g
$ 30.30

Total 54 raw suppliers

Chemical Property of 1,3-Phenylenediacetonitrile Edit

Chemical Property:

Appearance/Colour:White adhering crystals
Vapor Pressure:0.00267mmHg at 25°C
Melting Point:32-35 oC
Refractive Index:1.549
Boiling Point:286.2 °C at 760 mmHg
Flash Point:162.2 °C
PSA：47.58000
Density:1.101 g/cm³
LogP:1.81876
Water Solubility.:insoluble
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:156.068748264
Heavy Atom Count:12
Complexity:203

Purity/Quality:

98%,99%, ^*data from raw suppliers

m-Xylylene Dicyanide >98.0%(GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22-36/37/38
Safety Statements: 26-37/39-24/25-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)CC#N)CC#N
Recent ClinicalTrials:Evaluate Efficacy and Safety of X0002 in Treatment of Knee Osteoarthritis

Technology Process of 1,3-Phenylenediacetonitrile

There total 9 articles about 1,3-Phenylenediacetonitrile 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: 86.0%