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| CAS No.: | 63089-50-9 |
|---|---|
| Name: | 4-Methylphthalonitrile |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C9H6 N2 |
| Molecular Weight: | 142.16 |
| Synonyms: | Phthalonitrile,4-methyl- (6CI); 3,4-Dicyanotoluene; 4-Methyl-1,2-benzenedicarbonitrile;4-Methylphthalonitrile |
| Density: | 1.12 g/cm3 |
| Melting Point: | 118-121 ºC |
| Boiling Point: | 326.9 °C at 760 mmHg |
| Flash Point: | 163.5 °C |
| Appearance: | WHITE TO OFF-WHITE SOLID, POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS |
| Hazard Symbols: |
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| Risk Codes: | R20/21/22 |
| Safety: | S36/37 |
| PSA: | 47.58000 |
| LogP: | 1.73836 |
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Chemistry
IUPAC Name: 4-Methylbenzene-1,2-dicarbonitrile
Synonyms of 4-Methylphthalonitrile (CAS NO.63089-50-9): 1,2-Benzenedicarbonitrile,4-methyl- ; 1,2-Dicyano-4-methylbenzene
CAS NO: 63089-50-9
Molecular Formula: C9H6N2
Molecular Weight: 142.16
Molecular Structure: 
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 47.58 Å2
Index of Refraction: 1.555
Molar Refractivity: 40.51 cm3
Molar Volume: 126.1 cm3
Surface Tension: 52.1 dyne/cm
Density: 1.12 g/cm3
Flash Point: 163.5 °C
Enthalpy of Vaporization: 56.92 kJ/mol
Boiling Point: 326.9 °C at 760 mmHg
Vapour Pressure: 0.000209 mmHg at 25°C
Melting Point: 119-121 °C(lit.)
Appearance: White to off-white crystalline powder
SMILES: N#Cc1cc(ccc1C#N)C
InChI: InChI=1/C9H6N2/c1-7-2-3-8(5-10)9(4-7)6-11/h2-4H,1H3
InChIKey: MDXGRFMFORMPGT-UHFFFAOYAB
Std. InChI: InChI=1S/C9H6N2/c1-7-2-3-8(5-10)9(4-7)6-11/h2-4H,1H3
Std. InChIKey: MDXGRFMFORMPGT-UHFFFAOYSA-N
Product Categories of 4-Methylphthalonitrile (CAS NO.63089-50-9): Functional Materials;Phthalonitriles & Naphthalonitriles;Phthalonitriles (Building Blocks for Phthalocyanines);M;Stains and Dyes;Stains&Dyes, A to;Aromatic
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: 36/37
S36/37: Wear suitable protective clothing and gloves.
WGK Germany: 3
Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use foam, dry chemical, or carbon dioxide.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Store 4-Methylphthalonitrile (CAS NO.63089-50-9) in a cool, dry place. Store in a tightly closed container.