4-(4-氯苯基)环己烷羧肼 | 368870-04-6

• 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-(4-氯苯基)环己烷羧肼
• 英文名称: 4-(4-chlorophenyl)cyclohexanecarbohydrazide
• 英文别名: 4-(4-chlorophenyl)cyclohexane-1-carbohydrazide
• CAS: 368870-04-6
• 化学式: C₁₃H₁₇ClN₂O
• 分子量: 252.744
• InChiKey: DWFIARWELZHSCS-UHFFFAOYSA-N

物化性质

• 沸点：
  444.0±44.0 °C(Predicted)
• 密度：
  1.204±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38

SDS

Name:	4-(4-Chlorophenyl)cyclohexanecarbohydrazide 95+% Material Safety Data Sheet
Synonym:
CAS:	368870-04-6

Section 1 - Chemical Product MSDS Name:4-(4-Chlorophenyl)cyclohexanecarbohydrazide 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
368870-04-6	4-(4-Chlorophenyl)cyclohexanecarbohydr	95+%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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:
Treat symptomatically and supportively.

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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# 368870-04-6: 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: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 208 - 210 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: C13H17ClN2O
Molecular Weight: 252.74

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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:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Not available.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 368870-04-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(4-Chlorophenyl)cyclohexanecarbohydrazide - Not listed by ACGIH, IARC, or NTP.

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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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 368870-04-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 368870-04-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 368870-04-6 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：

  5-甲基呋喃醛 、 4-(4-氯苯基)环己烷羧肼 以 乙醇 为溶剂， 反应 1.0h， 以86%的产率得到(E)-4-(4-chlorophenyl)-N'-((5-methylfuran-2-yl)-methylene)cyclohexanecarbohydrazide
  参考文献：
  名称：

  Synthesis and Biological Evaluation of 4-(4-Chlorophenyl)cyclohexane Carbohydrazide Derivatives as Anti-Bacterial Agents

  摘要：

  本文介绍了由4-(4-氯苯基)-环己烷羧酸衍生得到的新型腙衍生物4a-s的合成及其抗菌活性。对所合成的十九种新型腙衍生物4a-s进行了体外抗菌活性测试，针对金黄色葡萄球菌和大肠杆菌（革兰氏阳性菌）以及铜绿假单胞菌和痢疾杆菌（革兰氏阴性菌）。抗菌活性数据显示，当R为含氮杂环如吡啶、喹啉、咪唑和吲哚时，基本骨架显示出显著的抗菌活性（优秀活性），而如苯并[b]呋喃、呋喃、噻吩等杂环则显示出良好的抗菌活性。

  DOI：

  10.14233/ajchem.2015.18731
• 作为产物：
  描述：

  4-(4-氯苯基)环己基羧酸 在 硫酸 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 13.0h， 生成 4-(4-氯苯基)环己烷羧肼
  参考文献：
  名称：

  Synthesis and Biological Evaluation of 4-(4-Chlorophenyl)cyclohexane Carbohydrazide Derivatives as Anti-Bacterial Agents

  摘要：

  本文介绍了由4-(4-氯苯基)-环己烷羧酸衍生得到的新型腙衍生物4a-s的合成及其抗菌活性。对所合成的十九种新型腙衍生物4a-s进行了体外抗菌活性测试，针对金黄色葡萄球菌和大肠杆菌（革兰氏阳性菌）以及铜绿假单胞菌和痢疾杆菌（革兰氏阴性菌）。抗菌活性数据显示，当R为含氮杂环如吡啶、喹啉、咪唑和吲哚时，基本骨架显示出显著的抗菌活性（优秀活性），而如苯并[b]呋喃、呋喃、噻吩等杂环则显示出良好的抗菌活性。

  DOI：

  10.14233/ajchem.2015.18731

文献信息

• Synthesis and Biological Evaluation of 4-(4-Chlorophenyl)cyclohexane Carbohydrazide Derivatives as Anti-Bacterial Agents
  作者：G. Venkatasatyanarayana、V. Lakshmana Rao、M. Thirumala Chary、B. Ram、B. Balram、E. Laxminarayana

  DOI：10.14233/ajchem.2015.18731

  日期：——

  The present paper describes the synthesis and antibacterial activity of novel hydrazone derivatives 4a-s derived from 4-(4-chlorophenyl)-cyclohexane carboxylic acid. All the ninteen newly synthesized novel hydrazone derivatives 4a-s were evaluated for their in vitro antibacterial activity against Staphylococcus aureus and S. pyogenes (Gram-positive bacteria) and Escherichia coli and Pseudomonas aeruginosa (Gram-negative bacteria). Antibacterial activity data revealed that the basic scaffold with R = nitrogen heterocyclic ring such as pyridine, quinoline, imidazole and indole showed significant antibacterial activity (excellent activity), whereas the hetrocyclic ring like benzo[b]furan, furan, thiophene moiety showed good antibacterial activity.

  本文介绍了由4-(4-氯苯基)-环己烷羧酸衍生得到的新型腙衍生物4a-s的合成及其抗菌活性。对所合成的十九种新型腙衍生物4a-s进行了体外抗菌活性测试，针对金黄色葡萄球菌和大肠杆菌（革兰氏阳性菌）以及铜绿假单胞菌和痢疾杆菌（革兰氏阴性菌）。抗菌活性数据显示，当R为含氮杂环如吡啶、喹啉、咪唑和吲哚时，基本骨架显示出显著的抗菌活性（优秀活性），而如苯并[b]呋喃、呋喃、噻吩等杂环则显示出良好的抗菌活性。
• Venkatasatyanarayana; Lakshmana Rao; Laxminarayana, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2016, vol. 55B, # 6, p. 718 - 723
  作者：Venkatasatyanarayana、Lakshmana Rao、Laxminarayana、Thirumala Chary

  DOI：——

  日期：——