59843-75-3 (5-对甲苯基-1H-吡唑,3-(4-Methylphenyl)-1H-pyrazole)

CAS号:
59843-75-3
中文名称:
5-对甲苯基-1H-吡唑
英文名称:
3-(4-Methylphenyl)-1H-pyrazole
分子式:
C10H10N2
分子量:
158.199801921844

5-对甲苯基-1H-吡唑(59843-75-3)名称与标识符

名称

中文别名:
3-(4'-甲基苯基)-1H-吡唑;3-(4-甲基苯基)-1H-吡唑;3-对-甲苯基吡唑;5-对甲苯基-1H-吡唑;
英文别名:
3-(p-Tolyl)-1H-pyrazole;1H-Pyrazole,3-(4-methylphenyl)-;3-(4-methylphenyl)-1H-pyrazole;3-p-tolyl-1H-pyrazole;5-(4-methylphenyl)-1H-pyrazole;5-p-Tolyl-1H-pyrazole;3-p-tolylpyrazole;3-(4-Methylphenyl)pyrazole;3-(4-Tolyl)Pyrazole;p-Tolylpyrazol;1H-Pyrazole, 3-(4-methylphenyl)-;pyrazole analogue, 7;3-(p-Tolyl)pyrazole;5-(p-tolyl)-1H-pyrazole;BDBM17451;STK350511;SBB023349;3-p-Tolyl-1H-pyrazole, AldrichCP;A832500;AKOS000345349;DTXSID70369333;CS-0126513;SCHEMBL16168729;SY271653;59843-75-3;MFCD00665963;CD-0728;AKOS000313116;SCHEMBL2765284;3,4-DIMETHOXY-2-HYDROXYCHALCONE;J-510943;FT-0680910;3-p-Tolyl-1H-pyrazole, AldrichCPR;DB-002524;

标识符

MDL:
MFCD00665963
InChIKey:
VOMXXXBTALQTAK-UHFFFAOYSA-N
Inchi:
1S/C10H10N2/c1-8-2-4-9(5-3-8)10-6-7-11-12-10/h2-7H,1H3,(H,11,12)
SMILES:
N1C(=CC=N1)C1C=CC(C)=CC=1

5-对甲苯基-1H-吡唑(59843-75-3)物化性质

实验特性

  • LogP : 2.38510
  • PSA : 28.68000
  • 折射率 : 1.6392 (estimate)
  • 沸点 : 273.29°C (rough estimate)
  • 熔点 : 82-86 °C
  • 闪点 : 162.4°C
  • 颜色与性状 : Solid
  • 溶解性 : 无可用
  • 密度 : 1.1192 (rough estimate)

计算特性

  • 精确分子量 : 158.08400
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 1
  • 同位素质量 : 158.084
  • 重原子数量 : 12
  • 复杂度 : 139
  • 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) : 2.2
  • 互变异构体数量 : 2
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 28.7

5-对甲苯基-1H-吡唑(59843-75-3)推荐厂家 更多厂家(10)

5-对甲苯基-1H-吡唑(59843-75-3)相关文献

5-对甲苯基-1H-吡唑(59843-75-3) MSDS

基础信息

Name:3-(4-Tolyl)pyrazole 99+% Material Safety Data Sheet
Synonym:None
CAS:59843-75-3
Section 1 - Chemical Product ? MSDS Name:3-(4-Tolyl)pyrazole 99+% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
59843-75-33-(4-Tolyl)pyrazole99+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. 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.
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:
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. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 59843-75-3: 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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 82-86 C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H10N2
Molecular Weight: 158.20

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat.
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# 59843-75-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(4-Tolyl)pyrazole - 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.
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# 59843-75-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 59843-75-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 59843-75-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A