497832-99-2 (1-甲基-3-三氟甲基-4-溴-1H-吡唑,4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole)

CAS号:
497832-99-2
中文名称:
1-甲基-3-三氟甲基-4-溴-1H-吡唑
英文名称:
4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
分子式:
C5H4BrF3N2
分子量:
228.997870445251
相关分类:

1-甲基-3-三氟甲基-4-溴-1H-吡唑(497832-99-2)名称与标识符

名称

中文别名:
1-甲基-3-三氟甲基-4-溴-1H-吡唑;4-溴-1-甲基-3-三氟甲基吡唑;1-甲基-3-三氟甲基-4-溴吡唑;
英文别名:
4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole;BUTTPARK 99\18-60;1H-Pyrazole,4-bromo-1-methyl-3-(trifluoromethyl)-;4-Bromo-1methyl-3-(trifluoromethyl)-1H-pyrazole;4-bromo-1-methyl-3-(trifluoromethyl)pyrazole;4-Bromo-1-methyl-3-trifluoromethyl-1H-pyrazole;TZAYNGPUOOUEAP-UHFFFAOYSA-N;1H-Pyrazole, 4-bromo-1-methyl-3-(trifluoromethyl)-;PubChem16983;AMOT0266;STL414830;SBB054433;RP27781;AM85793;TS-03244;CS-0041880;497832-99-2;J-514566;P15389;EN300-232412;FT-0658286;4-Bromo-1-methyl-3-(trifluoromethyl)pyrazol;A7406;AKOS005169195;AC-27332;MFCD04115415;SY013847;SCHEMBL314811;SB40552;DTXSID70383296;

标识符

MDL:
MFCD04115415
InChIKey:
TZAYNGPUOOUEAP-UHFFFAOYSA-N
Inchi:
1S/C5H4BrF3N2/c1-11-2-3(6)4(10-11)5(7,8)9/h2H,1H3
SMILES:
BrC1=CN(C)N=C1C(F)(F)F

1-甲基-3-三氟甲基-4-溴-1H-吡唑(497832-99-2)物化性质

实验特性

  • LogP : 2.20140
  • PSA : 17.82000
  • 折射率 : 1.509
  • 沸点 : 52 °C
  • 闪点 : 75°C
  • 密度 : 1.82

计算特性

  • 精确分子量 : 227.95100
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 0
  • 同位素质量 : 227.951
  • 重原子数量 : 11
  • 复杂度 : 149
  • 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) : 1.8
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 17.8
  • 分子量 : 229.00

1-甲基-3-三氟甲基-4-溴-1H-吡唑(497832-99-2)安全信息

1-甲基-3-三氟甲基-4-溴-1H-吡唑(497832-99-2)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%

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1-甲基-3-三氟甲基-4-溴-1H-吡唑(497832-99-2)上下游

1-甲基-3-三氟甲基-4-溴-1H-吡唑(497832-99-2) MSDS

基础信息

Name:4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole Material Safety Data Sheet
Synonym:None Known
CAS:497832-99-2
Section 1 - Chemical Product ? MSDS Name:4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
497832-99-24-Bromo-1-methyl-3-(trifluoromethyl)-197+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. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
No information found.

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.
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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
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. Avoid generating dusty conditions. Provide ventilation. Vacuum or sweep up material and place into a suitable, dry disposal container.

Section 7 - HANDLING and STORAGE
? Handling:
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store under an inert atmosphere.

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# 497832-99-2: 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: Solid or liquid
Color: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 52-56 deg C @ 0.5mmHg
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: C5H4N2F3Br
Molecular Weight: 231.92

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Low melting point solid.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen fluoride gas, hydrogen bromide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 497832-99-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Bromo-1-methyl-3-(trifluoromethyl)-1H-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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 6 Keep under nitrogen.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 497832-99-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 497832-99-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 497832-99-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A