1-甲基-3-三氟甲基-吡唑-4-羰酰氯

1-甲基-3-三氟甲基-吡唑-4-羰酰氯 基本信息
CAS号 126674-98-4 分子式 C6H4ClF3N2O
分子量 212.55700 精确质量  211.99600
PSA  34.89000 LogP  1.81790

基本信息 展开↓

CAS号:
126674-98-4
3D弹球模型:
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分子式:
C6H4ClF3N2O
分子量:
212.55700
中文名称:
1-甲基-3-三氟甲基-吡唑-4-羰酰氯
英文名称:
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride
中文别名:
1-甲基-3-三氟甲基-吡唑-4-羰酰氯;
1-甲基-3-三氟甲基-1H-吡唑-4-羰酰氯
英文别名:
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride;
1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
精确分子量/精确质量:
211.99600
极性分子表面积/PSA:
34.89000
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: KFKVECZQALNWSR-UHFFFAOYSA-N

物化性质展开↓

密度:
1.56g/cm3
沸点:
251.1ºC at 760mmHg
闪点:
105.6ºC
折射率:
1.501
蒸汽压:
0.0209mmHg at 25°C

安全信息展开↓

海关代码:
2933199090

合成路线查看所有的合成路线

  • 113100-53-1

    3-(三氟甲基)-1-甲基-1H-吡唑-4-甲酸

  • ~99%

  • 126674-98-4

    1-甲基-3-三氟甲基-吡唑-4-羰酰氯

  • 571-55-1

    乙氧基-2-亚甲基三氟乙酰乙酸乙酯

  • 126674-98-4

    1-甲基-3-三氟甲基-吡唑-4-羰酰氯

  • 111493-74-4

    1-甲基-3-三氟甲基-1H-吡唑-4-羧酸乙酯

  • 126674-98-4

    1-甲基-3-三氟甲基-吡唑-4-羰酰氯

MSDS 展开↓

Name: 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride Material Safety Data Sheet
Synonym:
CAS: 126674-98-4
Section 1 - Chemical Product   MSDS Name:1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
126674-98-4 1-Methyl-3-(trifluoromethyl)-1H-pyrazo 97+% unlisted
Hazard Symbols: C
Risk Phrases: 14 29 35

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Reacts violently with water. Contact with water liberates toxic gas.
Causes severe burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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. Water runoff can cause environmental damage. Dike and collect water used to fight fire.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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# 126674-98-4: 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: 108 - 110 deg C @8mm Hg
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: C6H4ClF3N2O
Molecular Weight: 212.56

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Moisture sensitive.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases, water, amines, alcohols.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Not available.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 126674-98-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride - 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
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3265
Packing Group: II
IMO
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 14 Reacts violently with water.
R 29 Contact with water liberates toxic gas.
R 35 Causes severe burns.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 30 Never add water to this product.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 126674-98-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 126674-98-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 126674-98-4 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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