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3-Methylbenzonitrile

pharmaceutical raw materials
3-Methylbenzonitrile structure

3-Methylbenzonitrile 

structure
  • CAS No:

    620-22-4

  • Formula:

    C8H7N

  • Chemical Name:

    3-Methylbenzonitrile

  • Synonyms:

    Benzonitrile,3-methyl-;m-Tolunitrile;3-Methylbenzonitrile;m-Methylbenzonitrile;3-Tolunitrile;m-Cyanotoluene;m-Toluenenitrile;3-Cyanotoluene;3-Tolyl cyanide;NSC 75453

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID


M-tolunitrile is a clear, yellow liquid. (NTP, 1992)


M-tolunitrile is a clear, yellow liquid. (NTP, 1992)

3-Methylbenzonitrile Basic Attributes

117.15

117.15

507391

210-631-5

AH2J4VY1AK

75453

DTXSID6026167

29269095

Characteristics

23.8

2.12

Clear colorless to very slightly yellow Liquid

1.0316 at 68° F (NTP, 1992)

-23 °C

213 °C

188 °F

1.531

H2O: <0.1 g/100 mL at 25 ºC

Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

Oral-rat LD50: 3000 mg/kg; Oral-Mouse LD50: 300 mg/kg

Open flame is flammable; heat releases highly toxic nitrile-containing gas

Insoluble in water.

Nitriles

Nitriles, such as M-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

3276

3

20/21/22-36/37/38-36/38

26-36/37/39-45-37-36

XV0525000

Xn,Xi

The warehouse is ventilated, low temperature and dry; stored and transported separately from food, oxidants and acids

Irritant

Stable under normal temperatures and pressures.

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

This chemical is combustible. (NTP, 1992)

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fires involving this material can be controlled with a dry chemical, carbon dioxide, foam or Halon extinguisher. (NTP, 1992)

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed 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 contaminated 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)

Toxicity

moderately toxic

Drug Information

ACUTE/CHRONIC HAZARDS: This chemical causes skin irritation on contact. (NTP, 1992)

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)

3-Methylbenzonitrile Use and Manufacturing

Uses

Is an organic synthesis intermediate, mainly used for the synthesis of m-toluic acid

Benzonitrile, 3-methyl-: ACTIVE

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:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Drug Function and Efficacy

Provides essential nutrients and energy for the human body

This ingredient has been used in drugs with the following functions (note: it does not mean that the ingredient itself has the following health functions)

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