-
Name
3,4,5,6-Tetrachlorophthalonitrile
- EINECS 217-783-1
- CAS No. 1953-99-7
- Density 1.71 g/cm3
- Solubility
- Melting Point 249-252 °C (dec.)(lit.)
- Formula C8Cl4N2
- Boiling Point 353.9 °C at 760 mmHg
- Molecular Weight 265.913
- Flash Point 156 °C
- Transport Information
- Appearance white powder
- Safety 36
- Risk Codes 20/21/22
-
Molecular Structure
-
Hazard Symbols
Xn
- Synonyms Phthalonitrile,tetrachloro- (7CI,8CI);3,4,5,6-Tetrachloro-1,2-dicyanobenzene;3,4,5,6-Tetrachlorophthalodinitrile;Tetrachlorophthalodinitrile;
- PSA 47.58000
- LogP 4.04356
3,4,5,6-Tetrachlorophthalonitrile Chemical Properties
Molecule structure of Tetrachlorophthalonitrile (CAS NO.1953-99-7):
IUPAC Name: 3,4,5,6-Tetrachlorobenzene-1,2-dicarbonitrile
Molecular Weight: 265.911 g/mol
Molecular Formula: C8Cl4N2
Density: 1.71 g/cm3
Flash Point: 156 °C
Melting Point: 249-252 °C (dec.)(lit.)
Enthalpy of Vaporization: 59.88 kJ/mol
Boiling Point: 353.9 °C at 760 mmHg
Vapour Pressure: 3.48E-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: 282
Canonical SMILES: C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C#N
InChI: InChI=1S/C8Cl4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11
InChIKey: OQHXZZGZASQSOB-UHFFFAOYSA-N
EINECS: 217-783-1
Product Categories: Stains and Dyes; Stains&Dyes, A to;T-U-V
3,4,5,6-Tetrachlorophthalonitrile Uses
Tetrachlorophthalodinitrile (1953-99-7) can be used as intermediates of pharmaceutical, pesticides, dyes and pigments. It can also be used as flame retardant of resin, and plastic enhancer.
3,4,5,6-Tetrachlorophthalonitrile Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 66mg/kg (66mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Industrial Health. Vol. 4, Pg. 11, 1966. |
| mouse | LD50 | oral | 13720mg/kg (13720mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Industrial Health. Vol. 4, Pg. 11, 1966. |
| mouse | LD50 | subcutaneous | 3500mg/kg (3500mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Industrial Health. Vol. 4, Pg. 11, 1966. |
3,4,5,6-Tetrachlorophthalonitrile Safety Profile
Hazard Codes: 
Xn
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36
S36:Wear suitable protective clothing.
RTECS: TI8225000
3,4,5,6-Tetrachlorophthalonitrile Specification
Tetrachlorophthalonitrile (CAS NO.1953-99-7) is also named as 3,4,5,6-Tetrachloro-1,2-benzenedicarbonitrile ; 3,4,5,6-Tetrachlorophthalonitrile ; BRN 1882303 ; o-TCPN ; o-Tetrachlorophthalodinitrile ; 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro- (9CI) ; 3,4,5,6-Tetrachlorobenzene-1,2-dicarbonitrile ; o-Phthalodinitrile, tetrachloro- .
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