1H-Pyrazole-4-carboxaldehyde,1,3,5-trimethyl-
- 中文别名：1,3,5-三甲基-1H-吡唑-4-甲醛
- 中文释义：1,3,5-三甲基-1H-吡唑-4-甲醛;1,3,5-三甲基-吡唑-4-甲醛
- 英文别名：1,3,5-trimethylpyrazole-4-carbaldehyde;
4-formyl-1,3,5-trimethylpyrazole;
1,3,5-trimethyl-1H-pyrazol-4-carbaldehyde;
1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde;
1,3,5-trimethyl-4-formylpyrazole;
1,3,5-Trimethyl-1H-pyrazol-4-carbaldehyd;
1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde;
1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde;
trimethyl-1H-pyrazole-4-carbaldehyde
- CAS No.：2644-93-1
- 分子式：
C7H10N2O
- 分子量：138.17
- 精确分子量：138.07900
- PSA：34.89000
- MDL：MFCD00159623
- InChI：InChI=1/C7H10N2O/c1-5-7(4-10)6(2)9(3)8-5/h4H,1-3H3
- 分子结构式：
物化性质
- 密度：
- 1.09g/cm3
- 熔点：
- 71 °C
- 沸点：
- 132°C/12mm
- 闪点：
- 132°C/12mm
- 折射率：
- 1.536
- 蒸汽压：
- 0.0376mmHg at 25°C
安全信息
- 密度：
- 1.09g/cm3
- 熔点：
- 71 °C
- 沸点：
- 132°C/12mm
- 闪点：
- 132°C/12mm
- 折射率：
- 1.536
- 蒸汽压：
- 0.0376mmHg at 25°C
MSDS
| Name: | 1 3 5-Trimethyl-1H-pyrazole-4-carbaldehyde 90+% Material Safety Data Sheet |
| Synonym: | 4-Formyl-1,3,5-trimethyl -1H-pyrazol |
| CAS: | 2644-93-1 |
Section 1 - Chemical Product MSDS Name:1 3 5-Trimethyl-1H-pyrazole-4-carbaldehyde 90+% Material Safety Data Sheet
Synonym:4-Formyl-1,3,5-trimethyl -1H-pyrazol
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 2644-93-1 | 1,3,5-Trimethyl-1H-pyrazole-4-carbalde | 90+% | 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:
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# 2644-93-1: 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: pale yellow
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 77 - 78 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: C7H10N2O
Molecular Weight: 138.17
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2644-93-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde - 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# 2644-93-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2644-93-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2644-93-1 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
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%
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:0.5
2.氢键供体数量:0
3.氢键受体数量:2
4.可旋转化学键数量:1
5.互变异构体数量:无
6.拓扑分子极性表面积34.9
7.重原子数量:10
8.表面电荷:0
9.复杂度:138
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
