51076-46-1 (2-(4-吡啶基)丙二醛,2-(4-Pyridyl)malondialdehyde)

CAS号:
51076-46-1
中文名称:
2-(4-吡啶基)丙二醛
英文名称:
2-(4-Pyridyl)malondialdehyde
分子式:
C8H7NO2
分子量:
149.146682024002

2-(4-吡啶基)丙二醛(51076-46-1)名称与标识符

名称

中文别名:
2-(4-吡啶)丙二醛;2-(4-吡啶基)丙二醛;
英文别名:
2-(Pyridin-4-yl)malonaldehyde;2-(4-Pyridyl)malondialdehyde;2-(PYRIDIN-4-YL)MALONDIALDEHYDE;2-pyridin-4-ylpropanedial;Propanedial,2-(4-pyridinyl)-;4-Pyridinylmalonaldehyde;

标识符

MDL:
MFCD00216535
InChIKey:
RYYVVCNGQOENKM-UHFFFAOYSA-N
Inchi:
1S/C8H7NO2/c10-5-8(6-11)7-1-3-9-4-2-7/h1-6,8H
SMILES:
O=CC(C=O)C1C=CN=CC=1

2-(4-吡啶基)丙二醛(51076-46-1)物化性质

实验特性

  • LogP : 0.56300
  • PSA : 47.03000
  • 折射率 : 1.5320 (estimate)
  • 沸点 : 270.21°C (rough estimate)
  • 熔点 : 320 °C
  • 颜色与性状 : 固体
  • 溶解性 : 无可用
  • 密度 : 1.2517 (rough estimate)

计算特性

  • 精确分子量 : 149.04800
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 重原子数量 : 11
  • 复杂度 : 133
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0
  • 互变异构体数量 : 3
  • 表面电荷 : 0

2-(4-吡啶基)丙二醛(51076-46-1)安全信息

2-(4-吡啶基)丙二醛(51076-46-1)海关数据

海关编码:
2933399090
海关数据:

中国海关编码:

2933399090

概述:

2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(4-吡啶基)丙二醛(51076-46-1)相关文献

2-(4-吡啶基)丙二醛(51076-46-1) MSDS

基础信息

Name:2-(4-Pyridyl)malondialdehyde Material Safety Data Sheet
Synonym:None
CAS:51076-46-1
Section 1 - Chemical Product ? MSDS Name:2-(4-Pyridyl)malondialdehyde Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
51076-46-12-(2-pyridyl)malondialdehyde100 %unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Causes burns.Corrosive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Do not ingest or inhale. Use with adequate ventilation. Discard contaminated shoes.
Storage:
Store in a cool, dry place. Keep container closed when not in use.
Corrosives area.

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# 51076-46-1: 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:
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: white to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 320 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: slightly soluble in water
Specific Gravity/Density:
Molecular Formula: C8H7NO2
Molecular Weight: 149.0545

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:
Strong bases, strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 51076-46-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(2-pyridyl)malondialdehyde - 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: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 25 Avoid contact with eyes.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 51076-46-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 51076-46-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51076-46-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A