Tetrachloroterephthalonitrile supplier

Name
Tetrachloroterephthalonitrile
EINECS 401-550-8
CAS No. 1897-41-2
Article Data7
CAS DataBase
Density 1.71 g/cm³
Solubility
Melting Point 308-312 °C(lit.)
Formula C₈Cl₄N₂
Boiling Point 370.1 °C at 760 mmHg
Molecular Weight 265.913
Flash Point 166.8 °C
Transport Information UN 3077
Appearance
Safety 24-37-61-60
Risk Codes 43-53-50/53
Molecular Structure
Hazard Symbols Xi, N
Synonyms Terephthalonitrile,tetrachloro- (7CI,8CI);1,4-Dicyano-2,3,5,6-tetrachlorobenzene;2,3,5,6-Tetrachloro-1,4-benzenedicarbonitrile;2,3,5,6-Tetrachloro-1,4-dicyanobenzene;2,3,5,6-Tetrachloroterephthalonitrile;Tetrachloroterephthalodinitrile;
PSA 47.58000
LogP 4.04356

Synthetic route

: 1786-85-2
2,3,5,6-tetrachloro-1,4-benzenecarboxamide

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

Conditions

Conditions	Yield
With trichlorophosphate at 135℃; for 6h;	89%

: 20098-38-8
1,2,4,5-tetrachloro-3,6-dinitrobenzene

: 151-50-8
potassium cyanide

A: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

B: 2,3,5,6-Tetrachloro-4-nitro-benzonitrile

Conditions

Conditions	Yield
With cetyltrimethylammonim bromide In chloroform; water for 2h; Product distribution; Heating; various substituted nitrobenzenes;	A 79% B 4%
With cetyltrimethylammonim bromide In diethyl ether; chloroform for 2h; Heating;	A 79% B 4%

...Expand

: 719-32-4
tetrachloroterephthaloyl dichloride

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 91 percent / NH3 / diethyl ether / 8 h / 0 - 20 °C 2: 89 percent / POCl3 / 6 h / 135 °C View Scheme

: 100-20-9
terephthaloyl chloride

2.5-diethoxy-aniline hydrochloride: 2.5-diethoxy-aniline hydrochloride

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 65 percent / Fe; Cl2 / 24 h / 180 °C 2: 91 percent / NH3 / diethyl ether / 8 h / 0 - 20 °C 3: 89 percent / POCl3 / 6 h / 135 °C View Scheme

: 20098-38-8
1,2,4,5-tetrachloro-3,6-dinitrobenzene

: 57-09-0
cetyltrimethylammonim bromide

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

Conditions

Conditions	Yield
In chloroform; water

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 1074-36-8
4-mercaptobenzoic acid

: 4,4',4'',4'''-((3,6-dicyanobenzene-1,2,4,5-tetrayl)tetrakis(sulfanediyl))-tetrabenzoic acid

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 24h; Inert atmosphere;	99%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 48h; Inert atmosphere;	35%

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 2136-79-0
Dactal

Conditions

Conditions	Yield
With sulfuric acid	97%
With sulfuric acid	97%
With sulfuric acid; water; acetic acid at 190℃; for 72h;	91.2%
With sulfuric acid In water at 75 - 163℃; for 8.5h; Temperature; Solvent; Flow reactor;	1609 g

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 1193-02-8
4-aminotiophenol

: 2,3,5,6-tetrakis((4-aminophenyl)thio)terephthalonitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 40℃; for 5h; Inert atmosphere;	97%

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 1786-85-2
2,3,5,6-tetrachloro-1,4-benzenecarboxamide

Conditions

Conditions	Yield
Stage #1: 2,3,5,6-tetrachloroterephthalonitrile With acetamide; acetic acid at 50℃; under 760.051 Torr; for 0.5h; Stage #2: With tetrakis(acetonitrile)palladium(II) tetrafluoroborate at 50℃; under 2 Torr; for 2h;	96%

: 637-89-8
4-sulfanylphenol

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 2,3,5,6-tetrakis(4-hydroxyphenylthio)benzene-1,4-dinitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 45℃; for 6h; Inert atmosphere;	94%

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 1835-49-0
tetrafluoroterephthalonitrile

Conditions

Conditions	Yield
With potassium fluoride; 18-crown-6 ether In N,N-dimethyl-formamide at 140℃; for 6h;	92%
With potassium fluoride In N,N-dimethyl-formamide at 110℃; for 10h; Product distribution / selectivity;	90%
With potassium fluoride; tetra-n-propylammonium bromide In N,N-dimethyl-formamide at 130℃; for 7h; Product distribution / selectivity;	90%

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 1570321-40-2
1,2,3,4,7,8,9,10-octahydro-[1,2,3]benzodiazaphospholo[2,1-a][1,2,3]benzodiazaphosphole

: 108-90-7
chlorobenzene

: C32H32Cl4N6P4*C6H5Cl

Conditions

Conditions	Yield
at 20℃; for 1h; Schlenk technique; Inert atmosphere;	91%

...Expand

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 120-80-9
benzene-1,2-diol

: C14H4Cl2N2O2

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 24h;	90%

: potassium fluoride

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 1835-49-0
tetrafluoroterephthalonitrile

Conditions

Conditions	Yield
heating to 300°C, 5 h;	74.4%
heating to 300°C, 5 h;	74.4%
heating to 250°C, 5 h;	68.7%

: 109-99-9
tetrahydrofuran

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 5,6,13,14-tetrahydro-7λ2,15λ2-naphtho[2,1-d]naphtho[2',1':4,5][1,2,3]diazaphospholo[2,1-a][1,2,3]diazaphosphole

: C48H32Cl4N6P4*2C4H8O

Conditions

Conditions	Yield
at 20℃; for 2h; Schlenk technique; Inert atmosphere;	74%

...Expand

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 108-98-5
thiophenol

: 2,3,5,6-tetrakis(phenylthio)terephthalonitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 12h; Inert atmosphere;	66%

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 17534-15-5
1,2-benzenedithiole

: C20H8N2S4

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 72h;	62%

: 4556-23-4
pyridine-4-thiol

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 2,3,5,6-tetrakis(pyridin-4-ylthio)terephthalonitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 45℃; for 5h; Inert atmosphere;	56%

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 24279-39-8
2,6-dichloro-4-(trifluoromethyl)aniline

: 1416421-46-9
2,3,5-trichloro-6-(2,6-dichloro-4-(trifluoromethyl)phenylamino)terephthalonitrile

Conditions

Conditions	Yield
Stage #1: 2,6-dichloro-4-(trifluoromethyl)aniline With sodium hydroxide In N,N-dimethyl-formamide for 0.166667h; Stage #2: 2,3,5,6-tetrachloroterephthalonitrile In N,N-dimethyl-formamide at 60℃; for 2h;	55%

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 1539-57-7
diethyl 2,6-dimethyl-4-benzyl-1,4-dihydropyridine-3,5-dicarboxylate

: C14H7Cl4N

Conditions

Conditions	Yield
With tris[2-phenylpyridinato-C2,N]iridium(III); sodium acetate at 25℃; for 18h; Irradiation;	54%

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 17534-15-5
1,2-benzenedithiole

: C14H4Cl2N2S2

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 24h;	43%

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 1244467-05-7
C8H2Cl4N8

Conditions

Conditions	Yield
Stage #1: 2,3,5,6-tetrachloroterephthalonitrile With sodium azide; pyridine hydrochloride In N,N-dimethyl-formamide at 120℃; for 24h; Stage #2: With water; sodium hydroxide In N,N-dimethyl-formamide at 20℃;	32%

: 1121-24-0
ortho-mercaptophenol

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: C14H4Cl2N2OS

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 3h;	12%

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 92339-07-6
2,3,5,6-tetrafluoro-1,4-benzenedimethanol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 92 percent / KF; 18-crown-6 / dimethylformamide / 6 h / 140 °C 2: 80 percent / H2; H2SO4 / Ni / 48 h / 30 °C 3: 87 percent / aq. H2SO4 / 2 h / 20 °C 4: 52 percent / LiAlH4 / diethyl ether / 2 h / Heating View Scheme

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 3217-47-8
2,3,5,6-tetrafluoroterephthalaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 92 percent / KF; 18-crown-6 / dimethylformamide / 6 h / 140 °C 2: 80 percent / H2; H2SO4 / Ni / 48 h / 30 °C 3: 87 percent / aq. H2SO4 / 2 h / 20 °C View Scheme

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: 306739-72-0
2,3,5,6-tetrafluoroterephthalaldehyde dimethylacetal

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 92 percent / KF; 18-crown-6 / dimethylformamide / 6 h / 140 °C 2: 80 percent / H2; H2SO4 / Ni / 48 h / 30 °C View Scheme

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

: C20H12F4N2

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 92 percent / KF; 18-crown-6 / dimethylformamide / 6 h / 140 °C 2: 80 percent / H2; H2SO4 / Ni / 48 h / 30 °C 3: 87 percent / aq. H2SO4 / 2 h / 20 °C 4: 75 percent / 16 h / 120 °C View Scheme

: potassium fluoride

: 1897-41-2
2,3,5,6-tetrachloroterephthalonitrile

A: 60341-41-5
dichlorodifluoro-1,4-phenylene dicyanide

B: 1929-68-6
2-chloro-3,5,6-trifluoro-1,4-phenylene dicyanide

Conditions

Conditions	Yield
evidently an isomeric mixture is obtained;
evidently an isomeric mixture is obtained;

...Expand

Tetrachloroterephthalonitrile Chemical Properties

Molecule structure of p-Phthalodinitrile, tetrachloro- (CAS NO.1897-41-2):

IUPAC Name: 2,3,5,6-Tetrachlorobenzene-1,4-dicarbonitrile
Molecular Weight: 265.911 [g/mol]
Molecular Formula: C₈Cl₄N₂
Density: 1.71 g/cm³
Melting Point: 308-312 °C(lit.)
Boiling Point: 370.1 °C at 760 mmHg
Flash Point: 166.8 °C
Index of Refraction: 1.632
Molar Refractivity: 55.19 cm³
Molar Volume: 154.6 cm³
Polarizability: 21.88×10^-24 cm³
Surface Tension: 71.2 dyne/cm
Enthalpy of Vaporization: 61.7 kJ/mol
Vapour Pressure: 1.13E-05 mmHg at 25 °C
XLogP3: 2.9
H-Bond Acceptor: 2
Exact Mass: 265.878609
MonoIsotopic Mass: 263.881559
Topological Polar Surface Area: 47.6
Heavy Atom Count: 14
Complexity: 266
Canonical SMILES: C(#N)C1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl
InChI: InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11
InChIKey: TXRVDQMSXQKAPG-UHFFFAOYSA-N
EINECS: 401-550-8
Product Categories: C8 to C9; Cyanides/Nitriles; Nitrogen Compounds

Tetrachloroterephthalonitrile Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1581mg/kg (1581mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES	Industrial Health. Vol. 4, Pg. 11, 1966.
mouse	LD50	oral	> 300mg/kg (300mg/kg)		Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.

Tetrachloroterephthalonitrile Safety Profile

Hazard Codes: Irritant Xi, Dangerous N
Risk Statements: 43-53-50/53
R43:May cause sensitization by skin contact.
R53:May cause long-term adverse effects in the aquatic environment.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 24-37-61-60
R24:Toxic in contact with skin.
R37:Irritating to respiratory system
R61:May cause harm to the unborn child.
R60:May impair fertility.
RIDADR: 3077
WGK Germany: 1
RTECS: TI8275000

Tetrachloroterephthalonitrile Specification

p-Phthalodinitrile, tetrachloro- (CAS NO.1897-41-2) is also named as 1,4-Benzenedicarbonitrile, 2,3,5,6-tetrachloro- ; BRN 2054560 ; Tetrachloroterephthalonitrile ; p-TCPN ; p-Tetrachlorophthalodinitrile .

Product Name

Tetrachloroterephthalonitrile

Synthetic route

Tetrachloroterephthalonitrile Chemical Properties

Tetrachloroterephthalonitrile Toxicity Data With Reference

Tetrachloroterephthalonitrile Safety Profile

Tetrachloroterephthalonitrile Specification

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