4-乙酰氨苯甲腈 | 35704-19-9

• 物质功能分类: 化学试剂 - 有机试剂 - 氰酸酯/异氰酸酯
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-乙酰氨苯甲腈
• 中文别名: 4-乙酰胺基苯甲腈；4'-氰基乙酰基苯胺
• 英文名称: N-(4-cyanophenyl)acetamide
• 英文别名: 4-cyanoacetanilide；4-acetamidobenzonitrile；p-acetaminobenzonitrile
• CAS: 35704-19-9
• 化学式: C₉H₈N₂O
• mdl: MFCD00001814
• 分子量: 160.175
• InChiKey: UFKRTEWFEYWIHD-UHFFFAOYSA-N

物化性质

• 熔点：
  206-208 °C(lit.)
• 沸点：
  392.1±25.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)
• 稳定性/保质期：

  常规情况下不会分解，也没有危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn,Xi
• 安全说明：
  S26,S28,S36/37/39,S45
• 危险类别码：
  R20/21/22
• WGK Germany：
  3
• 海关编码：
  2926909090
• 危险品运输编号：
  3276
• RTECS号：
  AE1846000
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  密封保存于阴凉干燥处

SDS

Name:	4 -Cyanoacetanilide Material Safety Data Sheet
Synonym:
CAS:	35704-19-9

Section 1 - Chemical Product MSDS Name:4 -Cyanoacetanilide Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
35704-19-9	4'-Cyanoacetanilide		252-685-2

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 35704-19-9: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 206 - 208 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H8N2O
Molecular Weight: 160.17

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 35704-19-9: AE1846000 LD50/LC50:
CAS# 35704-19-9: Oral, mouse: LD50 = 470 mg/kg.
Carcinogenicity:
4'-Cyanoacetanilide - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 35704-19-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 35704-19-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 35704-19-9 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-乙酰氨苯甲腈 在 Schwartz's reagent 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 0.07h， 以84%的产率得到对氨基苯腈
  参考文献：
  名称：

  Chemoselective N-deacetylation under mild conditions

  摘要：

  描述了一种温和高效的化学选择性去乙酰化方法，该方法使用施瓦茨试剂在室温下迅速进行。温和和中性的条件使得在一些常见保护基团（即Boc、Fmoc、Cbz、Ts）存在的情况下能够进行正交去乙酰化。去保护条件不会引起手性氨基中心的任何表异构化。

  DOI：

  10.1039/c3ob41971a
• 作为产物：
  描述：

  对氰基苯乙酮 在 ethyl O-(benzenesulfonyl)acetohydroxamate 、 对甲苯磺酸 作用下， 以 水 、 乙腈 为溶剂， 反应 24.0h，