720-01-4 (2-三氟甲基-4-氯嘧啶-5-羧酸乙酯,Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate)

CAS号:
720-01-4
中文名称:
2-三氟甲基-4-氯嘧啶-5-羧酸乙酯
英文名称:
Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate
分子式:
C8H6ClF3N2O2
分子量:
254.593651294708

2-三氟甲基-4-氯嘧啶-5-羧酸乙酯(720-01-4)名称与标识符

名称

中文别名:
2-三氟甲基-4-氯嘧啶-5-羧酸乙酯;4-氯-2-三氟甲基嘧啶-5-甲酸乙酯;2-三氟甲基-4-氯嘧啶-5-甲酸乙酯;4-氯-2-三氟甲基嘧啶-5-乙基羧酸盐;乙基 4-氯-2-(三氟 甲基)嘧啶-5-羧酸酯;2-三氟甲基-4-氯-5-嘧啶甲酸乙酯;
英文别名:
Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate;Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate;4-Chloro-2-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl ester;Ethyl-4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate;4-Chloro-5-ethoxycarbonyl-2-trifluoromethylpyrimidine;Ethyl 2-trifluoromethyl-4-chloropyrimidine-5-carboxylate;Ethyl4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate;Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5- carboxylate;5-Pyrimidinecarboxylic acid, 4-chloro-2-(trifluoromethyl)-, ethyl ester;DSULCDCBENGHAX-UHFFFAOYSA-N;BCP26764;4-Chloro-2-trifluoromethyl-pyrimidine-5-carboxylicacidethylester;ZIN;AS-5167;4-Chloro-5-(ethoxycarbonyl)-2-(trifluoromethyl)pyrimidine;ethyl 4-chloro-2-trifluoromethyl-pyrimidine-5-carboxylate;SCHEMBL131646;EN300-107577;FD13033;AC-26619;A9394;MFCD00173897;DTXSID20371885;AKOS000320373;FT-0626075;Ethyl 4-chloro-2-(trifluoromethyl)-5-pyrimidinecarboxylate, AldrichCPR;CS-W019492;AM20100685;J-520983;SB60596;SY027419;720-01-4;DB-012422;

标识符

MDL:
MFCD00173897
InChIKey:
DSULCDCBENGHAX-UHFFFAOYSA-N
Inchi:
1S/C8H6ClF3N2O2/c1-2-16-6(15)4-3-13-7(8(10,11)12)14-5(4)9/h3H,2H2,1H3
SMILES:
ClC1=C(C(=O)OCC)C=NC(C(F)(F)F)=N1

2-三氟甲基-4-氯嘧啶-5-羧酸乙酯(720-01-4)物化性质

实验特性

  • LogP : 2.32550
  • PSA : 52.08000
  • 折射率 : 1.466
  • 沸点 : 230.6℃ at 760 mmHg
  • 熔点 : 36-37 ºC
  • 闪点 : 93.292°C
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 密度 : 1.449

计算特性

  • 精确分子量 : 254.00700
  • 氢键供体数量 : 0
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 3
  • 同位素质量 : 254.007
  • 重原子数量 : 16
  • 复杂度 : 262
  • 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) : 2.3
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 52.1

2-三氟甲基-4-氯嘧啶-5-羧酸乙酯(720-01-4)安全信息

2-三氟甲基-4-氯嘧啶-5-羧酸乙酯(720-01-4)海关数据

海关编码:
2933599090
海关数据:

中国海关编码:

2933599090

概述:

2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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:

2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-三氟甲基-4-氯嘧啶-5-羧酸乙酯(720-01-4)推荐厂家 更多厂家(29)

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186-16545970
张硕 3418426269
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2-三氟甲基-4-氯嘧啶-5-羧酸乙酯(720-01-4) MSDS

基础信息

Name:Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate 97% Material Safety Data Sheet
Synonym:
CAS:720-01-4
Section 1 - Chemical Product ? MSDS Name:Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
720-01-4Ethyl 4-chloro-2-(trifluoromethyl)pyri97%unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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:
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# 720-01-4: 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: Solid
Color: colorless - pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 84 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: C8H6ClF3N2O2
Molecular Weight: 255

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 chloride, chlorine, hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 720-01-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 720-01-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 720-01-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 720-01-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A