4-氯邻甲苯肼盐酸盐 | 19690-59-6

• 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-氯邻甲苯肼盐酸盐
• 中文别名: 4-氯-邻甲苯肼盐酸盐；1-(4-氯-2-甲基苯基)肼盐酸盐；4-氯-2-甲基苯基苯肼盐酸盐
• 英文名称: 1-(4-chloro-2-methylphenyl)hydrazine hydrochloride
• 英文别名: 4-chloro-2-methylphenylhydrazine hydrochloride；4-chloro-2-tolylhydrazine, hydrochloride salt；(4-chloro-2-methyl-phenyl)-hydrazine; hydrochloride；(4-Chlor-2-methyl-phenyl)-hydrazin; Hydrochlorid；(4-chloro-2-methylphenyl)-hydrazine, monohydrochloride；4-chloro-ortho-tolylhydrazine hydrochloride；(4-Chloro-2-methylphenyl)hydrazine hydrochloride；(4-chloro-2-methylphenyl)hydrazine;hydrochloride
• CAS: 19690-59-6
• 化学式: C₇H₉ClN₂*ClH
• 分子量: 193.076
• InChiKey: VBVZXWFQHFXJJK-UHFFFAOYSA-N

物化性质

• 熔点：
  206-208 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.36
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  38
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn,Xi
• 安全说明：
  S36/37
• 危险类别码：
  R20/21/22
• 海关编码：
  2928000090

SDS

Name:	4-Chloro-O-Tolylhydrazine Hydrochloride Material Safety Data Sheet
Synonym:	None
CAS:	19690-59-6

Section 1 - Chemical Product MSDS Name:4-Chloro-O-Tolylhydrazine Hydrochloride Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
19690-59-6	4-Chloro-O-Tolylhydrazine Hydrochlorid	100	243-227-2

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 19690-59-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 207 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature: > 207 deg C
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H9ClN2.HCl
Molecular Weight: 193.08

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen, chloride fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 19690-59-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Chloro-O-Tolylhydrazine Hydrochloride - 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37 Wear suitable protective clothing and
gloves.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 19690-59-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 19690-59-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 19690-59-6 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：

  4-氯邻甲苯肼盐酸盐 在 sodium acetate 、 苯甲醛 作用下， 以 乙醇 为溶剂， 生成 2-benzylidene-1-(4-chloro-2-methylphenyl)hydrazine
  参考文献：
  名称：

  Pyridazion quinoline compounds

  摘要：

  本发明涉及化合物、药物组合物和使用化合物（I）的方法，用于治疗和/或预防特定疾病或状况。在式（I）中，A选择自于邻位取代的芳基或杂环芳基，X选择自于—OH，—SH，NHR和R.sup.1或R.sup.2选择自于—(CH.sub.2).sub.n L，其中L可以从各种取代基中选择，包括芳基、杂环芳基和杂环基。这些化合物可用于治疗和/或预防与兴奋性氨基酸相关的神经疾病。

  公开号：

  US05744471A1
• 作为产物：
  描述：

  4-氯-2-甲基苯胺 在 盐酸 、 sodium nitrite 、 tin(ll) chloride 作用下， 以 水 为溶剂， 反应 1.5h， 生成 4-氯邻甲苯肼盐酸盐
  参考文献：
  名称：

  发现了以FtsZ为目标的含1,3,4-恶二唑-2-酮的苯甲酰胺衍生物，可作为杀死多种MDR细菌菌株的高效药物。

  摘要：

  由耐多药（MDR）病原体（例如耐甲氧西林的金黄色葡萄球菌（MRSA）和耐万古霉素的金黄色葡萄球菌（VRSA））引起的感染扩散，引起了人们对具有新作用机制的新型抗生素的需求。细菌分裂蛋白FtsZ已被鉴定为可在临床上开发的新型药物靶标。作为开发靶向FtsZ的抗菌剂的持续努力的一部分，我们在此描述了六种系列的新型含1,3,4-恶二唑-2-one，1,2,4-三唑-的设计，合成和生物活性。含3-one和含吡唑啉-5-one的苯甲酰胺衍生物。其中，化合物A14被发现是最有效的抗菌剂，对所有测试的革兰氏阳性菌株均优于环丙沙星，利奈唑胺和红霉素等临床药物，特别是耐甲氧西林，耐青霉素和临床分离的金黄色葡萄球菌。随后的生物学活性和对接分析研究证明，A14可以作为靶向FtsZ的有效化合物。初步的SAR表明了进一步优化这些新颖类似物的总体方向。综上所述，这项研究为开发新型靶向FtsZ的杀菌剂提供了有希望的化学型。

  DOI：

  10.1016/j.bmc.2019.06.010

文献信息

• [EN] MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO<br/>[FR] MOLÉCULES PRÉSENTANT UNE UTILITÉ EN TANT QUE PESTICIDES, ET INTERMÉDIAIRES, COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2016099929A1

  公开（公告）日：2016-06-23

  This disclosure relates to the field of molecules having pesticidal utility against pests in Phyla Arthropoda, Mollusca, and Nematoda, processes to produce such molecules, intermediates used in such processes, compositions containing such molecules, and processes of using such molecules and compositions against such pests. These molecules and compositions may be used, for example, as acaricides, insecticides, miticides, molluscicides, and nematicides. This document discloses molecules having the following formula ("Formula One").

  这份披露涉及具有对节肢动物门、软体动物门和线虫门害虫有用的杀虫作用的分子领域，用于生产这种分子的过程，用于这种过程的中间体，含有这种分子的组合物，以及使用这种分子和组合物对抗这些害虫的过程。这些分子和组合物可以用作螨虫剂、杀虫剂、螨虫剂、杀软体动物剂和线虫剂，例如。本文件披露了具有以下式（“式一”）的分子。
• Pyridazion quinoline compounds
  申请人：Zeneca Limited

  公开号：US05744471A1

  公开（公告）日：1998-04-28

  The present invention relates to compounds, pharmaceutical compositions and methods of using compounds of formula (I) in the treatment and/or prevention of certain diseases or conditions. In formula (I), A is chosen from ortho substituted aryl or heteroaryl species, X is chosen from --OH, --SH, NHR and R.sup.1 or R.sup.2 is chosen from --(CH.sub.2).sub.n L wherein L may be selected from a variety of substituents including aryl, heteroaryl and heterocyclic groups. The compounds are useful in treating and/or preventing neurological disorders associated with excitatory amino acids. ##STR1##

  本发明涉及化合物、药物组合物和使用化合物（I）的方法，用于治疗和/或预防特定疾病或状况。在式（I）中，A选择自于邻位取代的芳基或杂环芳基，X选择自于—OH，—SH，NHR和R.sup.1或R.sup.2选择自于—(CH.sub.2).sub.n L，其中L可以从各种取代基中选择，包括芳基、杂环芳基和杂环基。这些化合物可用于治疗和/或预防与兴奋性氨基酸相关的神经疾病。
• A Convenient Synthesis of Pyrazole‐imidazoline Derivatives by Microwave Irradiation
  作者：Getúlio Rosa、Bernardo A. Souto、Cynthia N. Pereira、Bruna C. Teixeira、Maurício S. Santos

  DOI：10.1002/jhet.3557

  日期：2019.6

  synthesized by a new methodology using microwave irradiation, in short time (20–30 min), in low power (50–70 W), and in 34–92% yield. Among all methodologies evaluated, no side products were obtained. All derivatives were completely characterized by FT–IR, 1H and 13C NMR, GC–MS, and HRMS.

  通过微波辐射，短时间（20–30分钟），低功率（50–70 W）和34–92微波辐射的新方法，合成了28种吡唑-咪唑啉1a – n和2a – n杂种％ 屈服。在所有评估的方法中，没有获得副产品。所有衍生物均通过FT-IR，1 H和13 C NMR，GC-MS和HRMS进行了完全鉴定。
• Rhodium(III)-Catalyzed CH Activation and Indole Synthesis With Hydrazone as an Auto-Formed and Auto-Cleavable Directing Group
  作者：Liyao Zheng、Ruimao Hua

  DOI：10.1002/chem.201304302

  日期：2014.2.17

  An efficient, practical, and external‐oxidant‐free indole synthesis from readily available aryl hydrazines was developed, by using hydrazone as a directing group for RhIII‐catalyzed CH activation and alkyne annulation. The hydrazone group was formed by in situ condensation of hydrazines and CO source, whereas its NN bond was served as an internal oxidant, for which we termed it as an auto‐formed

  通过使用as作为Rh III催化的CH活化和炔烃环化反应的导向基团，开发了一种有效，实用且无外部氧化剂的吲哚合成方法。腙基通过在肼和CO源的就地缩合形成，而其N  N键送达作为内部氧化剂，对此我们称之为它作为一个自动形成和自动裂解的定向基团（DG自动） 。该方法无需任何步骤即可进行导向组的预安装和后裂解，这使其成为一种非常容易扩展的方法，可以以较高的步骤经济性来获得不受保护的吲哚。DG汽车该策略也适用于异喹啉合成。此外，还证明了该化学方法可用于快速组装π扩展的氮掺杂多杂环化合物和生物活性分子。
• Synthesis and structure-activity relationships for a new class of tetrahydronaphthalene amide inhibitors of Mycobacterium tuberculosis
  作者：Hamish S. Sutherland、Guo-Liang Lu、Amy S.T. Tong、Daniel Conole、Scott G. Franzblau、Anna M. Upton、Manisha U. Lotlikar、Christopher B. Cooper、Brian D. Palmer、Peter J. Choi、William A. Denny

  DOI：10.1016/j.ejmech.2021.114059

  日期：2022.2

  tetrahydronaphthalene amides (THNAs) as a new class of ATP synthase inhibitors that are effective in preventing the growth of Mycobacterium tuberculosis (M.tb) in culture. Design, synthesis and comprehensive structure-activity relationship studies for approximately 80 THNA analogues are described, with a small selection of compounds exhibiting potent (in some cases MIC90 <1 μg/mL) in vitro M.tb growth inhibition

  耐药结核病 (TB) 是全球健康危机，需要新的治疗策略。细菌 ATP 合酶抑制剂如贝达喹啉和下一代类似物（如 TBAJ-876）分别在患者群体和临床前研究中显示出有希望的疗效，这表明选择性靶向这种酶是治疗结核病的有效治疗策略。在这项工作中，我们报告了四氢萘酰胺 (THNA) 作为一类新的 ATP 合酶抑制剂，可有效防止培养中的结核分枝杆菌 (M.tb)的生长。描述了大约 80 种 THNA 类似物的设计、合成和综合构效关系研究，其中一小部分化合物表现出强效（在某些情况下为 MIC90 <1 μg/mL) 体外M.tb生长抑制用于药代动力学和脱靶分析研究。最终，我们表明，与贝达喹啉相比，其中一些 THNA 具有降低的亲脂性、降低的 hERG 敏感性、更快的小鼠/人肝微粒体清除率和更短的血浆半衰期，可能解决与贝达喹啉相关的持久性和磷脂沉积的主要问题。