4-Acetylpyridine 分子结构式
HCID14282

4-Acetylpyridine

1-pyridin-4-ylethanone

C7H7NO121.14 g/molCAS 1122-54-9

IDENTITY

结构与身份

标准SMILES
CC(=O)c1ccncc1
InChIKey
WMQUKDQWMMOHSA-UHFFFAOYSA-N
分子式
C7H7NO
平均分子量
121.14 g/mol
单同位素质量
121.05276385

COMPUTED

结构计算性质

已同步
XLogP
0.5
极性表面积
30 Ų
氢键供体
0
氢键受体
2
可旋转键
1
重原子
9
形式电荷
0
复杂度
105

PROPERTIES

实验与物化性质

来源:PubChem
Density

1.111 at 74.1 °F (NTP, 1992) - Denser than water; will sink

Solubility

greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)

Flash Point

greater than 200 °F (NTP, 1992)

Boiling Point

414 °F at 760 mmHg (NTP, 1992)

Vapor Pressure

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

Physical Description

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

Kovats Retention Index

1112

1800;1801

GHS

GHS分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 63.6% (89 of 140) of all reports.

Warning

H315 (36.4%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (34.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (32.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 140 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 89 of 140 reports by companies.;There are 10 notifications provided by 51 of 140 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Methyl 4-pyridyl ketone: Does not have an individual approval but may be used under an appropriate group standard

DOT Label

Poison

Fire Hazards

This chemical is probably combustible. (NTP, 1992)

Health Hazards

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)

Reactive Group

Amines, Phosphines, and Pyridines;Ketones

Reactivity Profile

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.

Air and Water Reactions

Soluble in water.

Hazard Classes and Categories

Skin Irrit. 2 (36.4%);Eye Irrit. 2A (34.3%);STOT SE 3 (32.9%)

SAFETY

安全与防护

来源:PubChem
Fire Fighting

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

First Aid

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)

Nonfire Spill Response

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)

Isolation and Evacuation

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;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 the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank 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, 2024)

Personal Protective Equipment (PPE)

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)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Methyl 4-pyridyl ketone: Does not have an individual approval but may be used under an appropriate group standard

USES

用途与制造

来源:PubChem
General Manufacturing Information

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

ALIASES

名称与别名

共 64 条
4-Acetylpyridine1122-54-91-pyridin-4-ylethanoneMethyl 4-pyridyl ketoneEthanone, 1-(4-pyridinyl)-Ketone, methyl 4-pyridylPyridine, 4-acetyl-4-Pyridyl methyl ketone1-(4-PYRIDINYL)ETHANONENSC-111G47437IOW7DTXSID0022147RefChem:517351DTXCID402147214-350-91-(pyridin-4-yl)ethan-1-one4-Acetyl pyridine1-(pyridin-4-yl)ethanone1-(4-pyridyl)ethanoneMFCD00006433

REACTIONS

参与反应

188
HRID 2153 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05728708

查看
HRID 4344 反应方程式

uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04725606

查看
HRID 11447 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098226B2

查看
HRID 18390 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741346B2

查看
HRID 92727 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看
HRID 99854 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看
HRID 108087 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看
HRID 130682 反应方程式

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07381826B2

查看