4-Nitrophthalonitrile , >98.0%(GC) , 31643-49-9

CAS NO.：31643-49-9

Empirical Formula: C8H3N3O2

Molecular Weight: 173.13

MDL number: MFCD00040301

EINECS: 250-748-9

PRODUCT Properties

• Melting point: 142-144 °C(lit.)
• Boiling point: 303.75°C (rough estimate)
• Density: 1.4553 (rough estimate)
• refractive index: 1.6500 (estimate)
• storage temp.: Sealed in dry,Room Temperature
• form: Crystalline Powder, Crystals and/or Chunks
• color: Light yellow, light greenish or light gray to beige
• Water Solubility: Sparingly soluble in water.(0.26 g/L) (25°C),
• BRN: 1877554
• InChI: InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H
• InChIKey: NTZMSBAAHBICLE-UHFFFAOYSA-N
• SMILES: C1(C#N)=CC=C([N+]([O-])=O)C=C1C#N
• CAS DataBase Reference: 31643-49-9(CAS DataBase Reference)
• EPA Substance Registry System: 1,2-Benzenedicarbonitrile, 4-nitro- (31643-49-9)

Description and Uses

4-Nitrophthalonitrile is a useful chemical in organic synthesis. Dyes and metabolites.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
• Hazard Codes: Xn
• Risk Statements: 22-36/37/38-20/21/22
• Safety Statements: 26-36
• WGK Germany: 3
• RTECS: TI8576000
• TSCA: Yes
• HS Code: 29269090
• Toxicity: mouse,LD50,oral,500mg/kg (500mg/kg),SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTIONBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION,Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(9), Pg. 92, 1987.