1,5-二甲基-3-氧代-2-苯基-2,3-二氢-1H-吡唑-4-甲醛肟 | 89169-88-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1,5-二甲基-3-氧代-2-苯基-2,3-二氢-1H-吡唑-4-甲醛肟
• 英文名称: 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde oxime
• 英文别名: 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-carbaldehyd-oxim；1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde oxime；4-[(E)-hydroxyiminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one
• CAS: 89169-88-0
• 化学式: C₁₂H₁₃N₃O₂
• 分子量: 231.254
• InChiKey: USGRDSGMDRNIRM-MDWZMJQESA-N

物化性质

• 熔点：
  216 °C
• 沸点：
  357.5±52.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  56.1
• 氢给体数：
  1
• 氢受体数：
  4

SDS

Name:	1 5-Dimethyl-3-oxo-2-phenyl-2 3-dihydro-1H-pyrazole-4-carbaldehyde Material Safety Data Sheet
Synonym:
CAS:	89169-88-0

Section 1 - Chemical Product MSDS Name:1 5-Dimethyl-3-oxo-2-phenyl-2 3-dihydro-1H-pyrazole-4-carbaldehyde Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
89169-88-0	1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydr	97%	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

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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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 89169-88-0: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 216 - 219 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: C12H13N3O2
Molecular Weight: 231

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Reducing agents, strong oxidizing agents, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 89169-88-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde oxime - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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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.
WGK (Water Danger/Protection)
CAS# 89169-88-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 89169-88-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 89169-88-0 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

反应信息

• 作为反应物：
  描述：

  1,5-二甲基-3-氧代-2-苯基-2,3-二氢-1H-吡唑-4-甲醛肟 在 aluminium amalgam 作用下， 生成 4-aminomethyl-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one
  参考文献：
  名称：

  Ledrut et al., Bulletin de la Societe Chimique de France, 1952, p. 185,188

  摘要：

  DOI：

文献信息

• Ridi, Gazzetta Chimica Italiana, 1941, vol. 71, p. 106,108
  作者：Ridi

  DOI：——

  日期：——
• Ledrut et al., Bulletin de la Societe Chimique de France, 1952, p. 185,188
  作者：Ledrut et al.

  DOI：——

  日期：——