3,4-二氨基-5-羟基吡唑硫酸盐 | 52057-97-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 中文名称: 3,4-二氨基-5-羟基吡唑硫酸盐
• 英文名称: 3,4-diamino-1H-pyrazol-5-ol
• 英文别名: 3,4-diamino-5-hydroxypyrazole；3,4-diamino-5-hydroxypyrazol；4,5-diamino-1,2-dihydropyrazol-3-one
• CAS: 52057-97-3
• 化学式: C₃H₆N₄O
• 分子量: 114.107
• InChiKey: MUYIVZJCWVZYHR-UHFFFAOYSA-N

物化性质

• 熔点：
  208 °C
• 密度：
  1.396±0.06 g/cm3(Predicted)
• 稳定性/保质期：

  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  93.2
• 氢给体数：
  4
• 氢受体数：
  4

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2933199090

SDS

Name:	3 4-Diamino-5-hydroxypyrazole sulfate Material Safety Data Sheet
Synonym:	3,4-Diamino-5-pyrazolol sulfat
CAS:	52057-97-3

Section 1 - Chemical Product MSDS Name:3 4-Diamino-5-hydroxypyrazole sulfate Material Safety Data Sheet
Synonym:3,4-Diamino-5-pyrazolol sulfat

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
52057-97-3	3,4-Diamino-5-hydroxypyrazole sulfate	100	unlisted

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.
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.

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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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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.
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 or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

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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:
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:
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# 52057-97-3: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: Yellow-Tan Powder
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 208 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: C3H6N4O.H2SO4
Molecular Weight: 212.18

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 52057-97-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,4-Diamino-5-hydroxypyrazole sulfate - 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.

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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 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
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# 52057-97-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 52057-97-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 52057-97-3 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：

  3,4-二氨基-5-羟基吡唑硫酸盐 、 4-三氟甲基苯甲酰氯 在 trifluoroborane diethyl ether 作用下， 以 1,4-二氧六环 为溶剂， 反应 10.0h， 生成 3,4-N,N'-bis(4-(trifluoromethyl)benzylamido)-5-hydroxy-1H-pyrazole
  参考文献：
  名称：

  新型呋喃山3,4-二酰胺类似物作为强效抗癌药的合成及构效关系

  摘要：

  这项研究描述了一系列呋喃3,4-二酰胺类似物的合成和构效关系。1,2,5-恶二唑环和苯环上的吸电子取代基被认为是重要的元素，它们在很大程度上具有最大的抗扩散作用。

  DOI：

  10.1016/j.bmcl.2009.12.017
• 作为产物：
  描述：

  (4E)-5-Amino-4-(hydroxyimino)-2,4-dihydro-3H-pyrazol-3-one 在 sodium dithionite 作用下， 生成 3,4-二氨基-5-羟基吡唑硫酸盐
  参考文献：
  名称：

  Hepner; Fajersztejn, Bulletin de la Societe Chimique de France, 1937, vol. <5>4, p. 854,858

  摘要：

  DOI：

文献信息

• Pteridines. XVI. A Synthesis of 2-Aminopyrazine-3-carboxamides by Reductive Ring Cleavage of 3-Hydroxy-1-pyrazolo [b] pyrazines^1-3
  作者：E. C. Taylor、J. W. Barton、T. S. Osdene

  DOI：10.1021/ja01535a045

  日期：1958.1

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