2,5-二氯苯酰肼 | 67487-35-8

• 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: 2,5-二氯苯酰肼
• 中文别名: 2,5-二氯苯甲酰肼
• 英文名称: 2,5-dichlorobenzhydrazide
• 英文别名: 2,5-dichlorobenzoic hydrazide；2,5-dichlorobenzohydrazide
• CAS: 67487-35-8
• 化学式: C₇H₆Cl₂N₂O
• mdl: MFCD00014754
• 分子量: 205.043
• InChiKey: XECBCXNWGBDIMG-UHFFFAOYSA-N

物化性质

• 熔点：
  178-182 °C
• 密度：
  1.455±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2928000090
• 安全说明：
  S26,S37/39
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H312,H315,H319,H332,H335
• 储存条件：
  存放在密封容器中，并置于阴凉、干燥处。务必远离氧化剂。

SDS

Name:	2 5-Dichlorobenzoic hydrazide 98% Material Safety Data Sheet
Synonym:
CAS:	67487-35-8

Section 1 - Chemical Product MSDS Name:2 5-Dichlorobenzoic hydrazide 98% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
67487-35-8	2,5-Dichlorobenzoic hydrazide	98%	unlisted

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

---

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.

---

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.

---

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# 67487-35-8: 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 178 - 182 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C7H6Cl2N2O
Molecular Weight: 205.04

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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: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 67487-35-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,5-Dichlorobenzoic hydrazide - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

---

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# 67487-35-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 67487-35-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 67487-35-8 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：

  2,5-二氯苯酰肼 在 氯化亚砜 作用下， 生成 α-chloro-2,5-dichlorobenzaldehyde phenylsulfonylhydrazone
  参考文献：
  名称：

  3-(1-substituted-4-piperazinyl)-1H-indazoles

  摘要：

  本发明涉及具有以下通式结构的3-(1-取代-4-哌嗪基)-1H-吲唑类化合物：##STR1## 其中R1为氢、低级烷基、芳基低级烷基、酰基、环烷基低级亚烷基和苯磺酰基；R2为氢、低级烷基、羟基低级烷基，其结构式为##STR2## 其中Z选自氢、卤素、低级烷氧基、CF3、NO2和NH2；##STR3## 其中Z如上定义；##STR4## 其中Z如上定义；##STR5## 其中R3和R4各自独立为氢和低级烷基；##STR6## 其中Z如上定义；##STR7## 其中R'和R"各自独立为氢和低级烷基；X为氢、低级烷基、羟基、卤素、低级烷氧基、CF3、NO2和氨基；n为1至4的整数，但当R1为氢或酰基且X为氯时，R2不应当为低级烷基；其药学上可接受的酸加成盐，以及适当时的几何异构体、立体异构体和外消旋混合物。本发明的化合物显示出作为镇痛剂和抗精神病药物的效用。

  公开号：

  US04954503A1
• 作为产物：
  描述：

  2,5-二氯苯甲酸乙酯 在 一水合肼 作用下， 以 甲醇 为溶剂， 反应 6.0h， 生成 2,5-二氯苯酰肼
  参考文献：
  名称：

  含1,3,4-恶二唑环的（E）-α-（甲氧基亚氨基）-苯乙酸酯衍生物的立体选择性合成和杀真菌活性。

  摘要：

  立体选择性地合成了十五种新颖的（E）-α-（甲氧基亚氨基）-苯乙酸酯衍生物，它们是嗜球果伞素的类似物，其包含（E）-甲氧基亚氨基乙酸甲酯部分和1,3,4-恶二唑环的两个药效学亚结构。首先发现偶联反应可以以14：1的比例立体选择性地产生关键中间体（E）和2-（羟基亚氨基）-2-邻甲苯基乙酸酯（Z）-甲基。初步的生物测定表明，所有化合物1对茄根霉，灰葡萄孢，玉米赤霉菌，皮氏假单胞菌和双极性芽孢杆菌均显示出有效的杀真菌活性，并且所有测试化合物1a-1o均比Kresoxim-具有更强的对茄霉的杀真菌活性。甲基。

  DOI：

  10.1016/j.bmcl.2006.01.026

文献信息

• Synthesis, Characterization and Antimicrobial Evaluation of (E)-N'-[(1-(2-methoxy-6-pentadecylbenzyl)-1H-1,2,3-triazol-4-yl]- methylene)benzohydrazide Derivatives
  作者：N. Rambabu、P.K. Dubey、B. Ram、B. Balram

  DOI：10.14233/ajchem.2016.19310

  日期：——

  Anacardic acid (pentadecyl salicylic acid) is a phenolic constituent present in cashew nut shell liquid (Anacardium occidentale L.) and exhibits antimicrobial properties. The present paper describes the synthesis, characterization and antimicrobial evaluation of hydrazone derivatives of anacardic acid (9a-l) linked with 1,2,3-triazole ring. All the newly synthesized compounds were determined by 1H NMR, mass and IR spectroscopy. Compounds 9d, 9e, 9h, 9i and 9j exhibited strong antifungal activity against the tested fungal strains viz., A. niger and C. albicans.

  腰果酚酸（十五烷基水杨酸）是一种存在于腰果壳液（槟榔属植物）中的酚类成分，具有抗菌特性。本文描述了腰果酚酸（9a-l）与1,2,3-三唑环连接的阱类衍生物的合成、表征和抗菌评价。所有新合成的化合物均通过1H核磁共振、质谱和红外光谱进行了鉴定。化合物9d、9e、9h、9i和9j对所测试的真菌菌株，即黑曲霉和白色念珠菌显示出强大的抗真菌活性。
• Hydrazide and alkoxyamide angiogenesis inhibitors
  申请人：——

  公开号：US20020002152A1

  公开（公告）日：2002-01-03

  Compounds having the formula 1 are methionine aminopeptidase type 2 (MetAP2) inhibitors and are useful for inhibiting angiogenesis. Also disclosed are MetAP2-inhibiting compositions and methods of inhibiting angiogenesis in a mammal.

  具有以下化学式的化合物是蛋氨酸氨肽酶2型（MetAP2）抑制剂，对抑制血管生成有用。还公开了抑制MetAP2的组合物和在哺乳动物中抑制血管生成的方法。
• Synthesis and Antibacterial Activity of (E)-N'-[4-{2-(4-Fluorophenylthio)ethoxy}-3-cyano-5-methoxybenzylidene]-substituted benzohydrazide Derivatives
  作者：Lokamaheshwari Dommati、B. Satyanarayana、P. Gayatri Hela、B. Ram、G. Srinivas

  DOI：10.14233/ajchem.2016.19776

  日期：——

  Commercially available vanillin was used as the starting material for the preparation of some new (E)-N’-[4-2-(4-fluorophenylthio)-ethoxy}-3-cyano-5-methoxybenzylidene]-4-substituted benzohydrazide derivatives (8.1 to 8.10) in quantitative yields. The structural confirmations of all the newly synthesized hydrazone derivatives were established on the basis of 1H NMR, mass and IR data. Hydrazides such as (E)-N’-[4-2-(4-fluorophenylthio)ethoxy}-3-cyano-5-methoxybenzylidene]-2,5-dichlorobenzohydrazide (8.6), (E)-N’-[4-2-(4-fluorophenylthio)ethoxy}-3-cyano-5-methoxybenzylidene]-2,5-difluorobenzohydrazide (8.9) showed duplication of NMR signals, this was attributed to the presence of anti and syn periplanar conformers. Antibacterial study against Staphylococcus aureus, Bacillus subtilis, Escherichia coli and Pseudomonas aeruginosa with reference to the standard drug (streptomycin) revealed that compounds bearing R = 4-OH (8.2), 3,4,5-OMe (8.3) and 4-SO2Me (8.4) substituents has shown the good antibacterial sensitivity.

  以市售的香草醛为起始原料，制备了一系列新型的（E）-N’-[4-2-（4-氟苯硫基）乙氧基}-3-氰基-5-甲氧基亚苄基]-4-取代苯甲酰肼衍生物（8.1至8.10），产率为定量。所有新合成的脎衍生物的结构确认基于1H NMR、质谱和红外数据。例如（E）-N’-[4-2-（4-氟苯硫基）乙氧基}-3-氰基-5-甲氧基亚苄基]-2,5-二氯苯甲酰肼（8.6）和（E）-N’-[4-2-（4-氟苯硫基）乙氧基}-3-氰基-5-甲氧基亚苄基]-2,5-二氟苯甲酰肼（8.9）显示出NMR信号的重复，这归因于反式和顺式periplanar构象的存在。针对金黄色葡萄球菌、枯草芽孢杆菌、大肠杆菌和铜绿假单胞菌的抗菌研究，参考标准药物（链霉素），结果显示含有R=4-OH（8.2）、3,4,5-OMe（8.3）和4-SO2Me（8.4）取代基的化合物表现出良好的抗菌敏感性。
• [EN] 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES<br/>[FR] DÉRIVÉS DE 1-ARYL-4-MÉTHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOXALINE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2013000924A1

  公开（公告）日：2013-01-03

  The present invention relates to novel l-aryl-4-methyl-[l,2,4]triazolo[4,3-a]- quinoxaline derivatives as inhibitors of phosphodiesterase 2 (PDE2) and to a lesser extent of phosphodiesterase 10 (PDE10) or as inhibitors of both, phosphodiesterases 2 and 10. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which PDE2 is involved, or disorders in which both PDE2 and PDE10 are involved, such as neurological and psychiatric disorders, and endocrinological or metabolic diseases. The present invention also relates to radiolabeled compounds which may be useful for imaging and quantifying the PDE2 enzyme in tissues, using positron- emission tomography (PET). The invention is also directed to compositions comprising such compounds, to processes for preparing such compounds and compositions, to the use of such compounds and compositions for imaging a tissue, cells or a host, in vitro or in vivo and to precursors of said compounds.

  本发明涉及新型的l-芳基-4-甲基-[1,2,4]三唑并[4,3-a]-喹喔啉衍生物，作为磷酸二酯酶2（PDE2）的抑制剂，以及在较小程度上作为磷酸二酯酶10（PDE10）的抑制剂或作为磷酸二酯酶2和10的双重抑制剂。该发明还涉及包含这类化合物的药物组合物，用于制备这类化合物和组合物的方法，以及将这类化合物和组合物用于预防和治疗涉及PDE2的疾病或涉及PDE2和PDE10的疾病，如神经和精神疾病，内分泌或代谢性疾病。本发明还涉及可能用于组织中PDE2酶的成像和定量的放射标记化合物，使用正电子发射断层扫描（PET）。该发明还涉及包含这类化合物的组合物，用于制备这类化合物和组合物的方法，将这类化合物和组合物用于体内或体外成像组织、细胞或宿主，并涉及这类化合物的前体。
• [EN] AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS<br/>[FR] AMINO-QUINOXALINE ET COMPOSÉS AMINO-QUINOLINE À UTILISER EN TANT QU'ANTAGONISTES DU RÉCEPTEUR A2a
  申请人：SCHERING CORP

  公开号：WO2009111442A1

  公开（公告）日：2009-09-11

  Compounds of the Formula (I), where W represents CH or N; and Q represents -CN, -C(=NOH)NH2, -CONHR1 or various herein described heterocyclic radicals; as well as pharmaceutically acceptable salts, solvates, esters and prodrugs thereof are adenosine A2a receptor antagonists and, therefore, are useful in the treatment of central nervous system diseases, in particular Parkinson's disease.

  化合物的分子式（I），其中W代表CH或N；Q代表-CN，-C（=NOH）NH2，-CONHR1或这里描述的各种杂环基团；以及其药学上可接受的盐类、溶剂化合物、酯类和前药是腺苷A2a受体拮抗剂，因此在治疗中枢神经系统疾病，特别是帕金森病方面具有用处。

表征谱图