ChemicalBook--->CAS DataBase List--->139152-08-2

139152-08-2

139152-08-2 Structure

139152-08-2 Structure
IdentificationBack Directory
[Name]

4,5-DICHLOROPHTHALONITRILE
[CAS]

139152-08-2
[Synonyms]

4,5-DICHLOROPHTHALONITRILE
4,5-Dichlorophthalodinitrile
4,5-Dichlorophthalonitrile99%
4,5-Dichlorophthalonitrile>
4,5-Dichlorophthalonitrile 99%
4,5-DICHLOROPHTHALONITRILE 98+%
1,2-DICHLORO-4,5-DICYANOBENZENE
4,5-Dicyano-1,2-dichlorobenzene
4,5-Dichloro-1,2-benzenedicarbonitrile
4,5-Dichlorobenzene-1,2-dicarbonitrile
1,2-Benzenedicarbonitrile,4,5-dichloro-
[Molecular Formula]

C8H2Cl2N2
[MDL Number]

MFCD00191408
[MOL File]

139152-08-2.mol
[Molecular Weight]

197.02
Chemical PropertiesBack Directory
[Melting point ]

180-184 °C(lit.)
[Boiling point ]

312.4±42.0 °C(Predicted)
[density ]

1.48±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

almost transparency in hot Methanol
[form ]

powder to crystal
[color ]

White to Almost white
[InChI]

InChI=1S/C8H2Cl2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H
[InChIKey]

SRIJSZQFAMLVQV-UHFFFAOYSA-N
[SMILES]

C1(C#N)=CC(Cl)=C(Cl)C=C1C#N
[CAS DataBase Reference]

139152-08-2
Hazard InformationBack Directory
[Chemical Properties]

Off-white powder
[Uses]

4,5-Dichlorophthalonitrile is suitable as a reactant in the synthesis of 4,5-bis(3,4-dimethoxyphenyl) phthalonitrile and 4,5-bis(2,6-dimethoxyphenoxy) phthalonitrile. It may be used in the synthesis of 4,5-diphenoxyphthalonitrile.
[General Description]

4,5-Dichlorophthalonitrile (4,5-dichloro-1,2-dicyanobenzene) is a phthalonitrile derivative. It has been synthesized from 4,5-dichloro-1,2-benzenedicarboxamide and characterized by 1H ,13C-NMR and IR. 4,5-dichlorophthalonitrile undergoes base catalyzed nucleophilic aromatic substitution reaction with O-, S- nucleophiles and acidic -CH containing compounds to form corresponding phthalonitrile derivatives, which are the precursors in the synthesis of phthalocyanines.
[Synthesis]

22.2 g of dichlorophthalic anhydride was added to 30 mL of formamide (HCONH2), and then refluxed at 200-220°C for 3h, and then purified to obtain dichlorophthalimide; ii. 22.0 g of dichlorophthalimide obtained in step 1 was added to 538 mL of ammonia, and
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-36
[RIDADR ]

2811
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

4,5-DICHLOROPHTHALONITRILE(139152-08-2)1HNMR
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