| Identification | More | [Name]
p-Tolunitrile | [CAS]
104-85-8 | [Synonyms]
4-CYANOTOLUENE
4-METHYLBENZENECARBONITRILE
4-METHYLBENZONITRILE
4-methylcyanobenzene
4-TOLUNITRILE
4-Toluyl nitrile
AKOS BBS-00004251
CNT
PCT
P-CYANO TOLUENE
P-METHYLBENZONITRILE
p-Toluenenitrile
p-toluic nitrile
P-TOLUNITRILE
p-toluonitrile
P-TOLYL CYANIDE
p-Tolylnitrile
1-Methyl-4-cyanobenzene
4-methyl-benzonitril
4-Toluenkarbonitril | [EINECS(EC#)]
203-244-8 | [Molecular Formula]
C8H7N | [MDL Number]
MFCD00001827 | [Molecular Weight]
117.15 | [MOL File]
104-85-8.mol |
| Chemical Properties | Back Directory | [Appearance]
beige solid | [Melting point ]
26-28 °C(lit.)
| [Boiling point ]
103-106 °C20 mm Hg(lit.)
| [density ]
0.981 g/mL at 25 °C(lit.)
| [refractive index ]
1.5285-1.5305
| [Fp ]
185 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
alcohol: very soluble | [form ]
Viscous Liquid | [color ]
Clear | [Specific Gravity]
0.981 | [Stability:]
Stable. Incompatible with strong oxidizing agents, strong bases. | [Water Solubility ]
<0.1 g/100 mL at 17 ºC | [Merck ]
14,9538 | [BRN ]
507386 | [Exposure limits]
NIOSH: IDLH 25 mg/m3 | [InChIKey]
VCZNNAKNUVJVGX-UHFFFAOYSA-N | [CAS DataBase Reference]
104-85-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzonitrile, 4-methyl-(104-85-8) | [EPA Substance Registry System]
104-85-8(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R43:May cause sensitization by skin contact.
R36/38:Irritating to eyes and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S37:Wear suitable gloves .
S36:Wear suitable protective clothing . | [WGK Germany ]
2
| [RTECS ]
XV0700000
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HS Code ]
29269095 |
| Hazard Information | Back Directory | [General Description]
Beige solid at 62.6° F. | [Reactivity Profile]
Nitriles, such as P-TOLUNITRILE(104-85-8), may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids. | [Air & Water Reactions]
Insoluble in water. | [Fire Hazard]
This chemical is combustible. | [Chemical Properties]
beige solid | [Uses]
p-?Tolunitrile is a reagent used in the preparation of 1H-Indazoles from imidates and nitrosobenzenes. | [Synthesis Reference(s)]
Synthetic Communications, 15, p. 1299, 1985 DOI: 10.1080/00397918508077278
Tetrahedron Letters, 27, p. 1925, 1986 DOI: 10.1016/S0040-4039(00)84413-5 | [Purification Methods]
Melt the nitrile, dry it with MgSO4, fractionally crystallise it from its melt, then fractionally distil it under reduced pressure in a 6-in spinning band column. [Brown J Am Chem Soc 81 3232 1959.] It can also be crystallised from *benzene/pet ether (b 40-60o). [Beilstein 9 H 489, 9 I 194, 9 II 330, 9 III 2348, 9 IV 1738.] |
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