3-氯-4-氟苯肼 | 84282-78-0

• 物质功能分类: 有机原料 - 肼或胲的有机衍生物
• 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: 3-氯-4-氟苯肼
• 英文名称: 3-chloro-4-fluorophenyl hydrazine
• 英文别名: 3-Chloro-4-fluorophenylhydrazine；(3-chloro-4-fluorophenyl)hydrazine
• CAS: 84282-78-0
• 化学式: C₆H₆ClFN₂
• 分子量: 160.578
• InChiKey: DUORBNTWCCJANU-UHFFFAOYSA-N

物化性质

• 熔点：
  74-79 °C (lit.)
• 沸点：
  253.1±30.0 °C(Predicted)
• 密度：
  1.430±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  按规定使用和贮存的这些物质不会分解，并且能够避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  10
• 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：
  38
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT-HARMFUL, KEEP COLD
• 危险品标志：
  Xn
• 安全说明：
  S26
• 危险类别码：
  R22,R20/21/22,R36/37/38
• WGK Germany：
  3
• 海关编码：
  2928000090
• 包装等级：
  III
• 危险标志：
  GHS05,GHS06
• 危险品运输编号：
  UN 2811 6.1/PG 3
• 危险性描述：
  H301,H315,H318,H335
• 危险性防范说明：
  P261,P280,P301 + P310,P305 + P351 + P338
• 储存条件：
  存放于密闭、阴凉、干燥处

SDS

Name:	1-(3-Chloro-4-fluorophenyl)hydrazine tech Material Safety Data Sheet
Synonym:
CAS:	84282-78-0

Section 1 - Chemical Product MSDS Name:1-(3-Chloro-4-fluorophenyl)hydrazine tech Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
84282-78-0	1-(3-Chloro-4-fluorophenyl)hydrazine		unlisted

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.

---

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# 84282-78-0: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 74 - 76 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H6ClFN2
Molecular Weight: 161

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 84282-78-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(3-Chloro-4-fluorophenyl)hydrazine - 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: 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# 84282-78-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 84282-78-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 84282-78-0 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

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  3-氯-4-氟苯胺	3-chloro-4-fluorophenylamine	367-21-5	C6H5ClFN	145.564

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	(Z)-1-(3-chloro-4-fluorophenyl)-2-(oct-2-yn-1-ylidene)-hydrazine	1342638-48-5	C14H16ClFN2	266.746
  2-(3-氯-4-氟苯基)肼羧酸乙酯	2-(3-chloro-4-fluorophenyl)hydrazinecarboxylic acid ethyl ester	84304-75-6	C9H10ClFN2O2	232.642
  ——	tert-butyl 2-(3-chloro-4-fluorophenyl)hydrazinecarboxylate	1513850-04-8	C11H14ClFN2O2	260.696
  ——	(Z)-1-(3-chloro-4-fluorophenyl)-2-(3-phenylprop-2-yn-1-ylidene)hydrazine	1342638-40-7	C15H10ClFN2	272.709
  ——	(Z)-1-(3-chloro-4-fluorophenyl)-2-(3-(p-tolyl)prop-2-yn-1-ylidene)hydrazine	1318807-98-5	C16H12ClFN2	286.736
  ——	Ethyl pyruvate 3-chloro-4-fluorophenylhydrazone	473258-19-4	C11H12ClFN2O2	258.68
  ——	(Z)-1-(3-chloro-4-fluorophenyl)-2-(4-phenylbut-3-yn-2-ylidene)hydrazine	1318808-03-5	C16H12ClFN2	286.736
  ——	phenyl N-(3-chloro-4-fluoroanilino)carbamate	84304-77-8	C13H10ClFN2O2	280.686

反应信息

• 作为反应物：
  描述：

  3-氯-4-氟苯肼 在 吡啶 、 盐酸羟胺 、 copper(II) sulfate 、 溶剂黄146 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 3.5h， 生成 2-(3-chloro-4-fluorophenyl)-2H-1,2,3-triazole N-oxide
  参考文献：
  名称：

  1,2,3-三唑N-氧化物的位点选择性直接芳基化

  摘要：

  通过 2-芳基-1,2,3-三唑 N-氧化物与 Ar-X [X = Br, I 和B(OH)2]进行说明。该反应通过 Pd 催化的 C-H 键活化进行，并研究了芳基卤化物对反应性的影响。

  DOI：

  10.1002/ejoc.201300747
• 作为产物：
  描述：

  3-chloro-4-fluorobenzenediazonium tetrafluoroborate 在 borohydride exchange resin 作用下， 以 甲醇 为溶剂， 以69%的产率得到3-氯-4-氟苯肼
  参考文献：
  名称：

  Selective Reduction of Aryl Diazonium Fluoroborates¹

  摘要：

  Substituted aryl diazonium fluoroborates have been selectively reduced to the corresponding phenylhydrazines by using borohydride exchange resin (EER).

  DOI：

  10.1080/00397919708003336

文献信息

• PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：Jiangsu Hansoh Pharmaceutical Group Co., Ltd.

  公开号：US20200247815A1

  公开（公告）日：2020-08-06

  The present invention relates to pyrazolyl-containing tricyclic derivative, a preparation method therefor and the use thereof. In particular, the present invention relates to a compound as shown in the general formula (I), a preparation method therefor and a pharmaceutical composition containing the compound, and the use thereof as a protease such as ERK (MAPK) inhibitor in the treatment of cancers, bone diseases, inflammatory diseases, immunological diseases, nervous system diseases, metabolic diseases, respiratory diseases and heart diseases, wherein the definition of each substituent in the general formula (1) is the same as defined in the description.

  本发明涉及吡唑基含有的三环衍生物，其制备方法及其用途。具体而言，本发明涉及一种如通式(I)所示的化合物，其制备方法及含有该化合物的药物组合物，以及将其用作蛋白酶，如ERK（MAPK）抑制剂，用于治疗癌症、骨疾病、炎症性疾病、免疫疾病、神经系统疾病、代谢性疾病、呼吸系统疾病和心脏疾病，其中通式（1）中每个取代基的定义与描述中定义的相同。
• [EN] NEW CRTh2 ANTAGONISTS<br/>[FR] NOUVEAUX ANTAGONISTES DE CRTH2
  申请人：ALMIRALL SA

  公开号：WO2013010881A1

  公开（公告）日：2013-01-24

  The present invention relates to compounds of formula (I), to the process for preparing such compounds and to their use in the treatment of a pathological condition or disease susceptible to amelioration by CRTh2 antagonist activity.

  本发明涉及公式(I)的化合物，制备此类化合物的方法以及它们在治疗可通过CRTh2拮抗剂活性改善的病理状况或疾病中的用途。
• Unprecedented Direct Conversion of N-N and N=N bonds to N-(tert-Butyloxy)-carbamates
  作者：S. Chandrasekhar、Ch. Raji Reddy、R. Jagadeeshwar Rao

  DOI：10.1055/s-2001-17439

  日期：——

  For the first time a one step direct conversion of aromatic hydrazines and azo compounds to N-(tert-butoxycarbonyl) amines is achieved via reductive cleavage of N-N and N=N bonds using the inexpensive and safe hydride source polymethylhydrosiloxane (PMHS) and di-tert-butyl dicarbonate [(Boc)2O] in the presence of a catalytic amount of 10% Pd-C.

  首次通过使用廉价且安全的氢化物源聚甲基氢硅氧烷（PMHS）与二叔丁基二碳酸酯[（Boc）2O]，在10% Pd-C催化剂的催化作用下，实现了芳香肼和偶氮化合物通过还原断裂N-N与N=N键，一步直接转化为N-（叔丁氧羰基）胺。
• Synthesis and Antimicrobial Studies of Coumarin-Substituted Pyrazole Derivatives as Potent Anti-Staphylococcus aureus Agents
  作者：Rawan Alnufaie、Hansa Raj KC、Nickolas Alsup、Jedidiah Whitt、Steven Andrew Chambers、David Gilmore、Mohammad A. Alam

  DOI：10.3390/molecules25122758

  日期：——

  In this paper, synthesis and antimicrobial studies of 31 novel coumarin-substituted pyrazole derivatives are reported. Some of these compounds have shown potent activity against methicillin-resistant Staphylococcus aureus (MRSA) with minimum inhibitory concentration (MIC) as low as 3.125 µg/mL. These molecules are equally potent at inhibiting the development of MRSA biofilm and the destruction of preformed

  本文报道了 31 种新型香豆素取代吡唑衍生物的合成和抗菌研究。其中一些化合物已显示出对耐甲氧西林金黄色葡萄球菌 (MRSA) 的有效活性，最低抑菌浓度 (MIC) 低至 3.125 µg/mL。这些分子在抑制 MRSA 生物膜的发展和预先形成的生物膜的破坏方面同样有效。这些结果非常重要，因为 MRSA 菌株已成为人类最具威胁的病原体之一，并且这种细菌在死亡率方面正在绕过 HIV。
• Flow and batch mode focused microwave synthesis of 5-amino-4-cyanopyrazoles and their further conversion to 4-aminopyrazolopyrimidines
  作者：Catherine J. Smith、Francisco Javier Iglesias-Sigüenza、Ian R. Baxendale、Steven V. Ley

  DOI：10.1039/b709043a

  日期：——

  A new approach to the synthesis of 5-amino-4-cyanopyrazoles has been developed, utilising a novel flow microwave device. These products are then converted by a batch mode microwave process to structurally more complex dimeric and ‘mixed’ pyrazolopyrimidine structures.

  一种合成5-氨基-4-氰基吡唑的新方法已被开发出来，该方法采用了一种新颖的流动微波装置。这些产品随后通过批量模式微波工艺被转化为结构更为复杂的二聚体和“混合”吡唑并嘧啶结构。