89193-16-8 (Ethyl 5-Methyl-1-phenyl-1H-pyrazole-4-carboxylate,Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate)

CAS号:
89193-16-8
中文名称:
Ethyl 5-Methyl-1-phenyl-1H-pyrazole-4-carboxylate
英文名称:
Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
分子式:
C13H14N2O2
分子量:
230.262463092804

Ethyl 5-Methyl-1-phenyl-1H-pyrazole-4-carboxylate(89193-16-8)名称与标识符

名称

中文别名:
5-甲基-1-苯基-1H-吡唑-4-甲酸乙酯;1-苯基-5-甲基-1H-吡唑-4-羧酸乙酯;
英文别名:
Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate;1H-Pyrazole-4-carboxylicacid, 5-methyl-1-phenyl-, ethyl ester;5-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester;Ethyl 5-methyl-1-phenylpyrazole-4-carboxylate;Ethyl-5-methyl-1-phenyl-1H-pyrazole-4-carboxylate;5-Methyl-1-phenyl-1H-pyrazol-4-carbonsaeure-aethylester;ethoxycarbonyl-4 methyl-5 pyrazole;ethyl 5-methyl-1-phenyl-1H-4-pyrazolecarboxylate;ethyl 5-methyl-1-phenyl-1H-4-pyrazolecarboxylateEthyl 5-methyl-1-phenyl-1H-4-pyrazolecarboxylate;5-Methyl-1-phenylpyrazole-4-carboxylic acid ethyl ester;NSC 85879;HMS546F21;1-Phenyl-5-Methyl Pyrazole-4-Carboxylic Acid Ethyl Ester;CCG-131438;Maybridge1_001715;1H-Pyrazole-4-carboxylic acid, 5-methyl-1-phenyl-, ethyl ester;MFCD00020741;NSC85879;F2135-0873;NSC-85879;89193-16-8;AS-5202;DTXSID70237568;SB75147;FT-0626129;ethyl 5-methyl-1-phenyl-pyrazole-4-carboxylate;AE-842/32538021;AMY32167;OSM-S-23;EINECS 289-479-7;NCIOpen2_005069;AKOS001786296;XYIOIOHRWLZCDM-UHFFFAOYSA-N;ETHYL5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE;Ethyl 5-methyl-1-phenylpyrazol-4-carboxylate;NS00039311;A861280;SCHEMBL1065124;J-521147;F81428;5-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acidethyl ester;DB-032336;DTXCID20160059;ALBB-029718;

标识符

MDL:
MFCD00020741
InChIKey:
XYIOIOHRWLZCDM-UHFFFAOYSA-N
Inchi:
1S/C13H14N2O2/c1-3-17-13(16)12-9-14-15(10(12)2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
SMILES:
O(CC)C(C1C=NN(C2C=CC=CC=2)C=1C)=O

Ethyl 5-Methyl-1-phenyl-1H-pyrazole-4-carboxylate(89193-16-8)物化性质

实验特性

  • LogP : 2.35740
  • PSA : 44.12000
  • 折射率 : 1.568
  • 沸点 : 338.1±22.0 °C at 760 mmHg
  • 熔点 : 35-36 ºC
  • 蒸气压 : 0.0±0.7 mmHg at 25°C
  • 闪点 : 158.3°C
  • 溶解度 : Dichloromethane, Methanol
  • 密度 : 1.13

计算特性

  • 精确分子量 : 230.10600
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 4
  • 同位素质量 : 230.106
  • 重原子数量 : 17
  • 复杂度 : 264
  • 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) : 2.5
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 44.1A^2

Ethyl 5-Methyl-1-phenyl-1H-pyrazole-4-carboxylate(89193-16-8)国际标准相关数据

EINECS:
289-479-7

Ethyl 5-Methyl-1-phenyl-1H-pyrazole-4-carboxylate(89193-16-8)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%

Ethyl 5-Methyl-1-phenyl-1H-pyrazole-4-carboxylate(89193-16-8)推荐厂家 更多厂家(16)

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Ethyl 5-Methyl-1-phenyl-1H-pyrazole-4-carboxylate(89193-16-8)参考资料

Reaxys RN:
PubChem CID:

Ethyl 5-Methyl-1-phenyl-1H-pyrazole-4-carboxylate(89193-16-8) MSDS

基础信息

Name:Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate 97% Material Safety Data Sheet
Synonym:
CAS:89193-16-8
Section 1 - Chemical Product ? MSDS Name:Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
89193-16-8Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-97%289-479-7
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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.

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.

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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 89193-16-8: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 51 - 52 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: C13H14N2O2
Molecular Weight: 230

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 89193-16-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 89193-16-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 89193-16-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 89193-16-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A