4-Methylbenzonitrile
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4-Methylbenzonitrile
structure -
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CAS No:
104-85-8
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Formula:
C8H7N
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Chemical Name:
4-Methylbenzonitrile
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Synonyms:
Benzonitrile,4-methyl-;p-Tolunitrile;4-Methylbenzonitrile;p-Methylbenzonitrile;p-Tolylnitrile;p-Cyanotoluene;p-Toluenenitrile;4-Cyanotoluene;4-Methylcyanobenzene;1-Cyano-4-methylbenzene;p-Tolyl cyanide;4-Toluenitrile;4-Methylphenyl cyanide;4-Tolyl cyanide;NSC 70985;4-Methylphenylnitrile
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CAS No:
Description
beige solidBeige solid at 62.6° F.
P-tolunitrile is a beige solid at 62.6° F. (NTP, 1992)
P-tolunitrile is a beige solid at 62.6° F. (NTP, 1992)
4-Methylbenzonitrile Basic Attributes
117.151
117.15
203-244-8
H20555V8NO
70985
3273
DTXSID6026169
29269095
Characteristics
23.8
2.12
P-tolunitrile is a beige solid at 62.6° F. (NTP, 1992)
0.9805 at 86° F (NTP, 1992)
29.5 °C
217 °C
185° F (NTP, 1992)
1.5285-1.5305
alcohol: very soluble ;H2O: less than 1 mg/mL at 63° F (NTP, 1992)
0.31 mmHg
Insoluble in water.
Nitriles
Nitriles, such as P-TOLUNITRILE, 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.
Safety Information
I; II
NONH for all modes of transport
2
R36/38
26-36/37-37-36
XV0700000
Xi
Stable. Incompatible with strong oxidizing agents, strong bases.
P261-P305 + P351 + P338-P342 + P311
H315-H319-H334-H335
This chemical is combustible. (NTP, 1992)
|Danger|H315 (97.96%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P285, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 50 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Fires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Drug Information
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: TOXIC; may be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. (ERG, 2016)
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Computed Properties
Molecular Weight:117.15
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Exact Mass:117.057849228
Monoisotopic Mass:117.057849228
Topological Polar Surface Area:23.8
Heavy Atom Count:9
Complexity:123
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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