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2-Nitrobenzeneacetonitrile

2-Nitrobenzeneacetonitrile structure

2-Nitrobenzeneacetonitrile 

structure
  • CAS No:

    610-66-2

  • Formula:

    C8H6N2O2

  • Chemical Name:

    2-Nitrobenzeneacetonitrile

  • Synonyms:

    Benzeneacetonitrile,2-nitro-;Acetonitrile,(o-nitrophenyl)-;2-Nitrobenzeneacetonitrile;o-Nitrobenzacetonitrile;(2-Nitrophenyl)acetonitrile;(o-Nitrophenyl)acetonitrile;2-Nitrobenzyl cyanide;o-Nitrobenzyl cyanide;NSC 99338;2-(2-Nitrophenyl)acetonitrile

  • Categories:

    Organic Chemistry  >  Hydrocarbons and Derivatives

Description

Yellow Solid


O-nitrophenylacetonitrile is a light brown solid. (NTP, 1992)


O-nitrophenylacetonitrile is a light brown solid. (NTP, 1992)

2-Nitrobenzeneacetonitrile Basic Attributes

162.15

162.15

1869400

210-231-0

7859F455K6

99338

DTXSID7025768

2926909090

Characteristics

69.6

1.8

Light brown to brownish-gray Powder

1.272 g/cm3

84 °C

178 °C @ Press: 12 Torr

138ºC

1.577

H2O: <0.01 g/100 mL at 20 ºC

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Insoluble in water.

Nitriles

Nitriles, such as O-NITROPHENYLACETONITRILE, 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

III

6.1

3439

3

20/21/22-36/37/38

26-36-24/25

AM1248000

Xn,Xi

Irritant

Stable. Incompatible with strong oxidizing agents.

P261-P280-P305 + P351 + P338

H302 + H312 + H332-H315-H319-H335

Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)

|Warning|H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 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 or Halon extinguisher. (NTP, 1992)

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol 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 ethanol followed by washing with a 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)

Drug Information

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)

2-Nitrobenzeneacetonitrile Use and Manufacturing

Uses

For pharmaceuticals

Benzeneacetonitrile, 2-nitro-: INACTIVE

Computed Properties

Molecular Weight:162.15
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:162.042927438
Monoisotopic Mass:162.042927438
Topological Polar Surface Area:69.6
Heavy Atom Count:12
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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