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4-Acetylpyridine

4-Acetylpyridine structure

4-Acetylpyridine 

structure
  • CAS No:

    1122-54-9

  • Formula:

    C7H7NO

  • Chemical Name:

    4-Acetylpyridine

  • Synonyms:

    Ethanone,1-(4-pyridinyl)-;Ketone,methyl 4-pyridyl;1-(4-Pyridinyl)ethanone;4-Acetylpyridine;4-Pyridyl methyl ketone;Methyl 4-pyridyl ketone;γ-Acetylpyridine;NSC 111;4-Pyridinyl methyl ketone;1-(Pyridin-4-yl)ethan-1-one;1-(Pyridn-4-yl)ethanone;Methyl pyridin-4-yl ketone;4-Pyridylethanone

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Description

clear light yellow to brownish liquidDark amber liquid.


4-acetylpyridine is a dark amber liquid. (NTP, 1992)


4-acetylpyridine is a dark amber liquid. (NTP, 1992)

4-Acetylpyridine Basic Attributes

121.14

121.14

107629

214-350-9

G47437IOW7

111

2810

DTXSID0022147

29333999

Characteristics

30

0.5

brown-yellowish Liquid

1.095 g/mL at 25 °C(lit.)

16 °C

212 °C

>230 °F

n20/D 1.529(lit.)

H2O: insoluble

Store below +30°C.

4.9 mm Hg at 77° F ; 6.1 mm Hg at 94.1° F (NTP, 1992)

Peritoneal-mouse LD50: 1400 mg/kg

Flammable; decomposes by heating to release toxic nitrogen oxide fumes

6.28e-08 atm-m3/mole

Soluble in water.

Amines, Phosphines, and Pyridines

4-ACETYLPYRIDINE is incompatible with strong oxidizing agents and strong reducing agents. (NTP, 1992). Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Safety Information

NONH for all modes of transport

3

36/37/38-36/38-22

26-36-37/39

OB5426000

Xi,Xn

Warehouse ventilated, low temperature and dry

Irritant

P261-P305 + P351 + P338

H315-H319-H335

This chemical is probably 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 136 companies from 9 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)

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. 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: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated 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 chemical under ambient temperatures and away from oxidizing materials and acids. (NTP, 1992)

MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves. 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

SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes, mucous membranes and upper respiratory tract. ACUTE/CHRONIC HAZARDS: This compound may be harmful by ingestion, inhalation or skin absorption. It is irritating to the skin, eyes, mucous membranes and upper respiratory tract. When heated to decomposition it emits toxic fumes of carbon monoxide, carbon dioxide and nitrogen oxides. (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)

4-acetylpyridine

4-Acetylpyridine Use and Manufacturing

Uses

4-Acetylpyridine is a acetylated pyridine used in the preparation of nitrogen containing bicyclic heterocycles and other organic compounds. 4-Acetylpyridine is also present in mainstream cigarette smoke.

Ethanone, 1-(4-pyridinyl)-: ACTIVE

Food additives -> Flavoring Agents

Flavoring Agents

Computed Properties

Molecular Weight:121.14
XLogP3:0.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:121.052763847
Monoisotopic Mass:121.052763847
Topological Polar Surface Area:30
Heavy Atom Count:9
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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