26033-20-5 (3-苯基-1H-吡唑-4-甲醛,3-Phenyl-1H-pyrazole-4-carbaldehyde)

CAS号:
26033-20-5
中文名称:
3-苯基-1H-吡唑-4-甲醛
英文名称:
3-Phenyl-1H-pyrazole-4-carbaldehyde
安全信息:
分子式:
C10H8N2O
分子量:
172.18332195282

3-苯基-1H-吡唑-4-甲醛(26033-20-5)名称与标识符

名称

中文别名:
3-苯基-1H-吡唑-4-甲醛;3-苯基吡唑-4-甲醛;
英文别名:
3-Phenyl-1H-pyrazole-4-carbaldehyde;3-Phenyl-1H-pyrazole-4-carboxaldehyde;3-Phenylpyrazole-4-carboxaldehyde;5-phenyl-1H-pyrazole-4-carbaldehyde;3-phenyl-1(2)H-pyrazole-4-carbaldehyde;3-Phenyl-4-formylpyrazole;3-phenyl-4-pyrazolecarbaldehyde;3-phenylpyrazole-4-carbaldehyde;5-phenylpyrazole-4-carbaldehyde;1H-Pyrazole-4-carboxaldehyde, 3-phenyl-;OCCFXKQCKSLEII-UHFFFAOYSA-N;DL-Lysine-Fmoc;NSC157355;PubChem16274;1H-Pyrazole-4-carboxaldehyde,3-phenyl-;Cambridge id 5132647;MLS000718594;KSC556S6J;HMS2668C08;AKOS000112497;AB00582275-07;TD8025;MFCD11900092;FT-0616325;AE-848/32509041;CHEMBL1874396;MFCD00216971;NSC-157355;AC-28030;SCHEMBL1335198;3-phenyl-1H-pyrazol-4-carbaldehyd;26033-20-5;NCGC00342077-01;DTXSID10303211;3-Phenyl-1H-pyrazole-4-carboxaldehyde, 97%;AKOS001476240;AB04911;BP-11197;SMR000290862;Z56787297;AM803602;EN300-16825;CS-W017599;SY032669;A5175;3-phenyl-1H-pyrazole-4-carbaldehyde;3-Phenylpyrazole-4-carbaldehyde;2P-002;BB 0249017;STK114964;STK065359;DTXCID00254344;ALBB-000093;DB-028826;

标识符

MDL:
MFCD00216971
InChIKey:
OCCFXKQCKSLEII-UHFFFAOYSA-N
Inchi:
1S/C10H8N2O/c13-7-9-6-11-12-10(9)8-4-2-1-3-5-8/h1-7H,(H,11,12)
SMILES:
O=CC1C=NNC=1C1C=CC=CC=1

3-苯基-1H-吡唑-4-甲醛(26033-20-5)物化性质

实验特性

  • LogP : 1.88920
  • PSA : 45.75000
  • 折射率 : 1.7040 (estimate)
  • 沸点 : 421.7℃ at 760 mmHg
  • 熔点 : 142-147 °C
  • 闪点 : 210.3±31.8 °C
  • 溶解度 : 10.3 [ug/mL]
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 1.1841 (rough estimate)

计算特性

  • 精确分子量 : 172.06400
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 172.063662883 g/mol
  • 重原子数量 : 13
  • 复杂度 : 178
  • 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) : 1.3
  • 互变异构体数量 : 4
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 45.8
  • 分子量 : 172.18

3-苯基-1H-吡唑-4-甲醛(26033-20-5)海关数据

海关编码:
2933199090
海关数据:

中国海关编码:

2933199090

概述:

2933199090. 其他结构上有非稠合吡唑环化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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3-苯基-1H-吡唑-4-甲醛(26033-20-5)相关文献

3-苯基-1H-吡唑-4-甲醛(26033-20-5)参考资料

Beilstein:
MFCD00216971
PubChem CID:

3-苯基-1H-吡唑-4-甲醛(26033-20-5) MSDS

基础信息

Name:3-Phenyl-1H-Pyrazole-4-Carboxaldehyde 98% (HPLC) Material Safety Data Sheet
Synonym:4-Formyl-3-Phenylpyrazole
CAS:26033-20-5
Section 1 - Chemical Product ? MSDS Name:3-Phenyl-1H-Pyrazole-4-Carboxaldehyde 98% (HPLC) Material Safety Data Sheet
Synonym:4-Formyl-3-Phenylpyrazole

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
26033-20-53-Phenyl-1H-Pyrazole-4-Carboxaldehyde98%unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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. No information found.
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.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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. Runoff from fire control or dilution water may cause pollution.
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. Use only in a well-ventilated area.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. 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.

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# 26033-20-5: 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:
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: Powder
Color: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 140 - 144 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: 25 MG/ML (100C)
Specific Gravity/Density:
Molecular Formula: C10H8N2O
Molecular Weight: 172.19

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:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 26033-20-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Phenyl-1H-Pyrazole-4-Carboxaldehyde - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 26033-20-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 26033-20-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 26033-20-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A