4-甲磺酰基苯肼盐酸盐 | 877-66-7

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类磺化物
• 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-甲磺酰基苯肼盐酸盐
• 中文别名: 4-甲磺酰基苯肼；4-甲基磺酰基苯肼盐酸盐；4-甲磺酰基苯肼HC；对甲磺酰基苯肼盐酸盐
• 英文名称: 4-(methylsulfonyl)phenylhydrazine
• 英文别名: 4-(methanesulfonyl)phenylhydrazine；p-(methanesulfonyl)phenylhydrazine；(4-(Methylsulfonyl)phenyl)hydrazine；(4-methylsulfonylphenyl)hydrazine
• CAS: 877-66-7
• 化学式: C₇H₁₀N₂O₂S
• mdl: MFCD00007580
• 分子量: 186.235
• InChiKey: ZHYAENSFCNMJQQ-UHFFFAOYSA-N

物化性质

• 熔点：
  202 °C
• 沸点：
  418.7±37.0 °C(Predicted)
• 密度：
  1.351±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 危险类别码：
  R24/25
• 海关编码：
  2928000090
• 储存条件：
  室温

SDS

Name:	4-Methylsulphonylphenylhydrazine Hydrochloride 95+% Material Safety Data Sheet
Synonym:	None Known
CAS:	877-66-7

Section 1 - Chemical Product MSDS Name:4-Methylsulphonylphenylhydrazine Hydrochloride 95+% Material Safety Data Sheet
Synonym:None Known

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
877-66-7	4-Methylsulphonylphenylhydrazine Hydro	95+%	212-895-7

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

---

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.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. 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.

---

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:

---

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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire.

---

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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 877-66-7: 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 minimize contact with skin.
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.

---

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: 202 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: soluble
Specific Gravity/Density:
Molecular Formula: C7H10N2O2S.HCl
Molecular Weight: 222.69

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 877-66-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Methylsulphonylphenylhydrazine Hydrochloride - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

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

---

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 877-66-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 877-66-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 877-66-7 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-甲磺酰基苯肼盐酸盐 以 甲醇 、 水 为溶剂， 生成 1-(4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
  参考文献：
  名称：

  在葡萄糖控制的啮齿动物模型中发现具有体内活性的孤儿G蛋白偶联受体GPR119的稠合双环激动剂

  摘要：

  我们在此概述了胰腺和GI表达的孤儿G蛋白偶联受体GPR119的新系列激动剂的设计，该激动剂是从原型激动剂AR231453开始的，在代谢领域中最近引起了人们的极大关注。首先通过并入吡唑并嘧啶核以创建新的结构系列，然后通过引入被氨基甲酸酯封端的哌啶醚基，改善了许多关键参数。长期使用该系列化合物中的一种3k进行的长期治疗首次显示，在数周的服药期间，Zucker糖尿病脂肪（ZDF）大鼠的血糖和糖化血红蛋白（HbA1c）水平可能显着降低。由于此处描述的这些数据和其他数据，因此3k （APD668，JNJ-28630368）是第一种具有这种作用机制的化合物，已被开发用于临床治疗糖尿病。

  DOI：

  10.1016/j.bmcl.2011.03.007
• 作为产物：
  描述：

  对氟苯甲砜 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 4-甲磺酰基苯肼盐酸盐
  参考文献：
  名称：

  谷氨酸衍生物作为抗氧化剂和消炎药的设计，合成及生物学评价

  摘要：

  合成了一系列谷氨酸衍生物，并评估了其抗氧化活性和稳定性。我们发现了几种有效且稳定的谷氨酸衍生物。其中，化合物12b显示出良好的体外活性，化学稳定性和细胞毒性。原型化合物12b在LPS刺激的RAW 264.7细胞系和斑马鱼模型中显示出抗炎作用。

  DOI：

  10.1016/j.bmcl.2017.11.012
• 作为试剂：
  描述：

  2,3-二氯-4-羟基苯甲醛 在 sodium acetate 、 4-甲磺酰基苯肼盐酸盐 作用下， 以 乙二醇二甲醚 、 水 、 甲苯 为溶剂， 生成 ethyl 3-(2,3-dichloro-4-hydroxyphenyl)propanoate
  参考文献：
  名称：

  [EN] ISOTHIAZOLE DERIVATIVES AS GPR120 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES
  [FR] DÉRIVÉS ISOTHIAZOLE UTILES EN TANT QU'AGONISTES DE GPR120 POUR LE TRAITEMENT DU DIABÈTE DE TYPE II

  摘要：

  揭示了一种通过调节GPR120受体而影响的疾病的化合物、组合物和治疗方法。这些化合物由以下式（I）表示：其中R1、G和Q在此处定义。

  公开号：

  WO2015134039A1

文献信息

• NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME
  申请人：Ryono Denis E.

  公开号：US20080009465A1

  公开（公告）日：2008-01-10

  Compounds are provided which are phosphonate and phosphinate activators and thus are useful in treating diabetes and related diseases and have the structure wherein is a heteroaryl ring; R 4 is —(CH 2 ) n -Z-(CH 2 ) m —PO(OR 7 )(OR 8 ), —(CH 2 ) n Z-(CH 2 ) m —PO(OR 7 )R g , —(CH 2 ) n -Z-(CH 2 ) m —OPO(OR 7 )R g , —(CH 2 ) n Z—(CH 2 ) m —OPO(R 9 )(R 10 ), or —(CH 2 ) n Z—(CH 2 ) m —PO(R 9 )(R 10 ); R 5 and R 6 are independently selected from H, alkyl and halogen; Y is R 7 (CH 2 ) s or is absent; and X, n, Z, m, R 4 , R 5 , R 6 , R 7 , and s are as defined herein; or a pharmaceutically acceptable salt thereof. A method for treating diabetes and related diseases employing the above compounds is also provided.

  提供了磷酸酯和磷酸酯激活剂，因此在治疗糖尿病和相关疾病方面非常有用，并具有以下结构： 其中 是杂环芳基环； R 4 为—(CH 2 ) n -Z-(CH 2 ) m —PO(OR 7 )(OR 8 )、—(CH 2 ) n Z-(CH 2 ) m —PO(OR 7 )R g 、—(CH 2 ) n -Z-(CH 2 ) m —OPO(OR 7 )R g 、—(CH 2 ) n Z—(CH 2 ) m —OPO(R 9 )(R 10) 或—(CH 2 ) n Z—(CH 2 ) m —PO(R 9 )(R 10) ； R 5 和R 6 分别选择自H、烷基和卤素； Y为R 7 (CH 2 ) s 或不存在；以及 X、n、Z、m、R 4 、R 5 、R 6 、R 7 和s如本文所定义；或其药用盐。 还提供了一种利用上述化合物治疗糖尿病和相关疾病的方法。
• Substituted oxidole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors
  申请人：SmithKline Beecham Corporation

  公开号：US06369086B1

  公开（公告）日：2002-04-09

  The present invention relates generally to novel substituted oxindole compounds and compositions. Such compounds and compositions have utility as pharmacological agents in treating diseases or conditions alleviated by the inhibition or antagonism of protein kinase activated signalling pathways. In particular, the present invention relates to a series of substituted oxindole compounds, which exhibit protein tyrosine kinase and protein serine/threonine kinase inhibition, and which are useful in inhibiting tumor growth via inhibition of such kinases as well as protecting a patient undergoing chemotherapy from chemotherapy induced alopecia.

  本发明总体上涉及新颖的取代吲哚化合物和组合物。这类化合物和组合物作为治疗药物，在治疗通过抑制或拮抗蛋白激酶激活的信号通路而缓解的疾病或状况方面具有效用。特别是，本发明涉及一系列取代吲哚化合物，这些化合物表现出蛋白酪氨酸激酶和蛋白丝氨酸/苏氨酸激酶的抑制作用，并且可用于通过抑制这些激酶来抑制肿瘤生长，以及保护接受化疗的患者免受化疗引起的脱发。
• [EN] FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS<br/>[FR] DERIVES HETEROARYL FUSIONNES A UTILISER EN TANT QU'INHIBITEURS DE LA KINASE P38
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2005073189A1

  公开（公告）日：2005-08-11

  Compounds of formula (I) are inhibitors of p38 kinase and are useful in the treatment of conditions or disease states mediated by p38 kinase activity or mediated by cytokines produced by the activity of p38.

  化合物的化学式（I）是p38激酶的抑制剂，并且在治疗由p38激酶活性介导或由p38活性产生的细胞因子介导的疾病状态或疾病状态中有用。
• 7-(Ethoxycarbonyl)-6,8-dimethyl-2-phenyl-1(2H)-phthalazinone derivatives: synthesis and inhibitory effects on platelet aggregation
  作者：Akiko Sugimoto、Hiromichi Tanaka、Yukuo Eguchi、Shigeru Ito、Yoshimi Takashima、Masayuki Ishikawa

  DOI：10.1021/jm00376a013

  日期：1984.10

  7-(Ethoxycarbonyl)-6,8-dimethyl-2-phenyl-1(2H)-phthalazinone derivatives and several analogues were synthesized and their inhibitory effects on platelet aggregation were evaluated. Structure-activity relationships are discussed. All synthesized compounds showed no appreciable effect on platelet aggregation induced by adenosine diphosphate, but most of them inhibited effectively the arachidonic acid

  合成了7-（乙氧羰基）-6,8-二甲基-2-苯基-1（2H）-酞嗪酮衍生物和几种类似物，并评价了它们对血小板聚集的抑制作用。讨论了构效关系。所有合成的化合物对二磷酸腺苷诱导的血小板凝集均无明显影响，但大多数化合物均能有效抑制花生四烯酸诱导的血小板凝集。母体化合物，2-苯基衍生物和邻位取代的2-苯基衍生物表现出所有化合物中最有效的抑制作用。
• Synthesis of Spiropentadiene Pyrazolones by Rh(III)-Catalyzed Formal sp³ C–H Activation/Annulation
  作者：Jiuan Zheng、Panpan Li、Meng Gu、Aijun Lin、Hequan Yao

  DOI：10.1021/acs.orglett.7b00930

  日期：2017.6.2

  pyrazolones with alkynes has been developed. This reaction provides a convenient route to synthesize spiropentadiene pyrazolones in good to excellent yields at room temperature, exhibiting good functional group tolerance, gram scalability, and high regioselectivity. Of note, the α-arylidene pyrazolone was introduced as a novel C3 synthon in C–H activation/annulation.

  已经开发了用Rh催化烯醇定向的形式sp 3 C–H活化/环炔基的α-亚芳基吡唑啉酮。该反应提供了在室温下以良好至优异的产率合成螺戊二烯吡唑啉酮的便利途径，表现出良好的官能团耐受性，克可扩展性和高区域选择性。值得注意的是，α-亚芳基吡唑啉酮是在C–H活化/环化反应中作为新型C3合成子引入的。

表征谱图