Terephthalonitrile

Base Information

Chemical Name:Terephthalonitrile
CAS No.:623-26-7
Molecular Formula:C8H4N2
Molecular Weight:128.133
Hs Code.:29269095
European Community (EC) Number:210-783-2
NSC Number:144977,78439
UNII:E6ITH5CIS3
DSSTox Substance ID:DTXSID1060768
Nikkaji Number:J2.091E
Wikipedia:1,4-Dicyanobenzene
Wikidata:Q72468565
ChEMBL ID:CHEMBL3248224
Mol file:623-26-7.mol

Synonyms:1,4-dicyanobenzene

Suppliers and Price of Terephthalonitrile

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

TRC
1,4-Dicyanobenzene
100g
$ 80.00

TCI Chemical
Terephthalonitrile >98.0%(GC)
500g
$ 322.00

TCI Chemical
Terephthalonitrile >98.0%(GC)
100g
$ 100.00

TCI Chemical
Terephthalonitrile >98.0%(GC)
25g
$ 34.00

SynQuest Laboratories
Terephthalonitrile
5 g
$ 15.00

SynQuest Laboratories
Terephthalonitrile
25 g
$ 25.00

Sigma-Aldrich
1,4-Dicyanobenzene 98%
25g
$ 28.70

Matrix Scientific
1,4-Dicyanobenzene 95+%
100g
$ 116.00

Matrix Scientific
1,4-Dicyanobenzene 95+%
10g
$ 22.00

Matrix Scientific
1,4-Dicyanobenzene 95+%
25g
$ 32.00

Total 110 raw suppliers

Chemical Property of Terephthalonitrile

Chemical Property:

Appearance/Colour:biege powder
Vapor Pressure:0.00217mmHg at 25°C
Melting Point:221-225 °C(lit.)
Refractive Index:1.565
Boiling Point:289.6 °C at 760 mmHg
Flash Point:142.8 °C
PSA：47.58000
Density:1.164 g/cm³
LogP:1.42996
Storage Temp.:Store below +30°C.
Solubility.:Chloroform (Slightly), DMSO (Slightly)
Water Solubility.:0.08 g/L (23 ºC)
XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:128.037448136
Heavy Atom Count:10
Complexity:170

Purity/Quality:

99% ^*data from raw suppliers

1,4-Dicyanobenzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Nitrogen Compounds -> Nitriles
Canonical SMILES:C1=CC(=CC=C1C#N)C#N
Uses 1,4-dicyanobenzene as a new internal standard in utilizing solid-state infrared intensity methods for the determination of thiocyanate bonding. Used as photosensitizer in [2+2] cycloadditions, nitrile building block.

Technology Process of Terephthalonitrile

There total 281 articles about Terephthalonitrile 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: 56.0%

: 7677-24-9
trimethylsilyl cyanide

: 589-87-7
1,4-bromoiodobenzene

: 623-26-7
terephthalonitrile

: 623-00-7
4-bromobenzenecarbonitrile

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; for 24h; Heating;
DOI:10.1021/jo00374a041

Reference yield: 54.0%

: 52599-10-7
(4-bromo-phenyl)-phenylsulfanyl-diazene

: 623-26-7
terephthalonitrile

: 3459-94-7
1,4-bis(phenylthio)benzene

: 65662-88-6
phenyl(4-bromophenyl)sulfide

: 51238-46-1
4-(phenylthio)benzonitrile

Guidance literature:: With tetra-n-butylammonium cyanide; In dimethyl sulfoxide; at 25 ℃; for 1h; Irradiation;
DOI:10.1016/S0040-4020(01)86905-2

Reference yield: 53.0%

: 52599-10-7
(4-bromo-phenyl)-phenylsulfanyl-diazene

: 10442-39-4
tetra-n-butylammonium cyanide

: 623-26-7
terephthalonitrile

: 3459-94-7
1,4-bis(phenylthio)benzene

: 65662-88-6
phenyl(4-bromophenyl)sulfide

: 51238-46-1
4-(phenylthio)benzonitrile

Guidance literature:: With tetra-n-butylammonium cyanide; In dimethyl sulfoxide; at 25 ℃; for 1h; Irradiation;
DOI:10.1016/S0040-4020(01)86905-2