26033-27-2 (3-(2-噻吩基)-1H-吡唑-4-甲醛,3-(Thiophen-2-yl)-1h-pyrazole-4-carbaldehyde)

CAS号:
26033-27-2
中文名称:
3-(2-噻吩基)-1H-吡唑-4-甲醛
英文名称:
3-(Thiophen-2-yl)-1h-pyrazole-4-carbaldehyde
分子式:
C8H6N2OS
分子量:
178.211040019989

3-(2-噻吩基)-1H-吡唑-4-甲醛(26033-27-2)名称与标识符

名称

中文别名:
3-(噻吩-2-基)-1H-吡唑-4-甲醛;3-(2-噻吩基)吡唑-4-甲醛;3-(2-噻吩基)-1H-吡唑-4-甲醛;
英文别名:
3-(Thiophen-2-yl)-1H-pyrazole-4-carbaldehyde;1H-Pyrazole-4-carboxaldehyde,3-(2-thienyl)-;3-(2-Thienyl)-1H-pyrazole-4-carbaldehyde;3-Thiophen-2-yl-1H-pyrazole-4-carbaldehyde;5-thiophen-2-yl-1H-pyrazole-4-carbaldehyde;3-thien-2-yl-1H-pyrazole-4-carbaldehyde;5-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde;1H-Pyrazole-4-carboxaldehyde, 3-(2-thienyl)-;ZERO/005236;DDQIKYLVCQKLHT-UHFFFAOYSA-N;2211AB;HTS001847;STK499929;SBB07327;AKOS000266169;EN300-24712;26033-27-2;AB01334533-02;DTXSID80353208;BB 0221290;CS-0067817;C74349;SCHEMBL1337388;3-thiophen-2-yl-1h-pyrazole-4-carboxaldehyde;NCGC00342520-01;A851451;FT-0613592;BB 0249072;3-(2-Thienyl)-1H-pyrazole-4-carbaldehyde, AldrichCPR;MFCD02677688;Z199469156;DS-2850;AKOS005167455;BS-3964;ALBB-000094;DB-032377;

标识符

MDL:
MFCD02677688
InChIKey:
DDQIKYLVCQKLHT-UHFFFAOYSA-N
Inchi:
1S/C8H6N2OS/c11-5-6-4-9-10-8(6)7-2-1-3-12-7/h1-5H,(H,9,10)
SMILES:
S1C=CC=C1C1=C(C=O)C=NN1

3-(2-噻吩基)-1H-吡唑-4-甲醛(26033-27-2)物化性质

实验特性

  • LogP : 1.95070
  • PSA : 73.99000
  • 折射率 : 1.686
  • 沸点 : 429.8°C at 760 mmHg
  • 熔点 : 69-71 ºC (water )
  • 闪点 : 213.7°C
  • 溶解度 : 几乎不溶 (0.059 g/L) (25 ºC),
  • 密度 : 1.398±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 178.02000
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 178.02
  • 重原子数量 : 12
  • 复杂度 : 176
  • 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) : 1.1
  • 拓扑分子极性表面积 : 74

3-(2-噻吩基)-1H-吡唑-4-甲醛(26033-27-2)海关数据

海关编码:
2934999090
海关数据:

中国海关编码:

2934999090

概述:

2934999090. 其他杂环化合物. 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

Summary:

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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3-(2-噻吩基)-1H-吡唑-4-甲醛(26033-27-2)上下游

3-(2-噻吩基)-1H-吡唑-4-甲醛(26033-27-2) MSDS

基础信息

Name:3-(2-Thienyl)-1H-pyrazole-4-carbaldehyde 97% Material Safety Data Sheet
Synonym:3-(2-Thienyl)pyrazole-4-carboxaldehyd
CAS:26033-27-2
Section 1 - Chemical Product ? MSDS Name:3-(2-Thienyl)-1H-pyrazole-4-carbaldehyde 97% Material Safety Data Sheet
Synonym:3-(2-Thienyl)pyrazole-4-carboxaldehyd

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
26033-27-23-(2-Thienyl)-1H-pyrazole-4-carbaldehy97%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.

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.

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.

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# 26033-27-2: 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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 63 - 66 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: C8H6N2OS
Molecular Weight: 178

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 26033-27-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(2-Thienyl)-1H-pyrazole-4-carbaldehyde - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 26033-27-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 26033-27-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 26033-27-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A