3-(叔丁基)-1-甲基-1H-吡唑-5-羧酸乙酯

3-(叔丁基)-1-甲基-1H-吡唑-5-羧酸乙酯 基本信息
CAS号 133261-10-6 分子式 C11H18N2O2
分子量 210.27300 精确质量  210.13700
PSA  44.12000 LogP  1.89430

基本信息 展开↓

CAS号:
133261-10-6
3D弹球模型:
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分子式:
C11H18N2O2
分子量:
210.27300
中文名称:
3-(叔丁基)-1-甲基-1H-吡唑-5-羧酸乙酯
英文名称:
ethyl 5-tert-butyl-2-methylpyrazole-3-carboxylate
中文别名:
3-(叔丁基)-1-甲基-1H-吡唑-5-羧酸乙酯;
1-甲基-3-叔丁基吡唑-5-甲酸乙酯
英文别名:
ethyl 5-tert-butyl-2-methylpyrazole-3-carboxylate;
3-(1,1-dimethylethyl)-1-methyl-1H-pyrazole-5-carboxylic acid ethyl ester;
1H-Pyrazole-5-carboxylicacid,3-(1,1-dimethylethyl)-1-methyl-,ethyl ester;
ethyl 3-(tert-butyl)-1-methyl-1H-pyrazole-5-carboxylate;
5-tert-butyl-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester
精确分子量/精确质量:
210.13700
极性分子表面积/PSA:
44.12000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: JCOHRMJIHAFFBC-UHFFFAOYSA-N

物化性质展开↓

密度:
1.04g/cm3
沸点:
299.2ºC at 760 mmHg
闪点:
134.8ºC
折射率:
1.502
蒸汽压:
0.00121mmHg at 25°C

安全信息展开↓

海关代码:
2933199090
安全说明:
S24/25

合成路线查看所有的合成路线

  • 77-78-1

    硫酸二甲酯

  • +

  • 83405-70-3

    5-(叔丁基)-2H-吡唑-3-甲酸乙酯

  • ~74%

  • 133261-10-6

    3-(叔丁基)-1-甲基-1H-吡唑-5-羧酸乙酯

  • 13395-36-3

    三甲基乙酰基丙酮酸乙酯

  • +

  • 60-34-4

    甲基肼

  • ~71%

  • 133261-10-6

    3-(叔丁基)-1-甲基-1H-吡唑-5-羧酸乙酯

  • +

  • 194289-30-0

    194289-30-0

  • 75-97-8

    频哪酮

  • 133261-10-6

    3-(叔丁基)-1-甲基-1H-吡唑-5-羧酸乙酯

MSDS 展开↓

Name: Ethyl 3-(tert-butyl)-1-methyl-1H-pyrazole-5-carboxylate tech Material Safety Data Sheet
Synonym:
CAS: 133261-10-6
Section 1 - Chemical Product   MSDS Name:Ethyl 3-(tert-butyl)-1-methyl-1H-pyrazole-5-carboxylate tech Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
133261-10-6 Ethyl 3-(tert-butyl)-1-methyl-1H-pyraz unlisted
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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# 133261-10-6: 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: Liquid
Color: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 116 deg C @15mmHg
Freezing/Melting Point: Not available.
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: C11H18N2O2
Molecular Weight: 210

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 133261-10-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 3-(tert-butyl)-1-methyl-1H-pyrazole-5-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# 133261-10-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 133261-10-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 133261-10-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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
摘要/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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