35034-22-1 (2-甲基咪唑-4-甲醛,2-Methyl-1H-imidazole-5-carbaldehyde)

CAS号:
35034-22-1
中文名称:
2-甲基咪唑-4-甲醛
英文名称:
2-Methyl-1H-imidazole-5-carbaldehyde
分子式:
C5H6N2O
分子量:
110.11394071579

2-甲基咪唑-4-甲醛(35034-22-1)名称与标识符

名称

中文别名:
2-甲基咪唑-4-甲醛;2-甲基-1-H咪唑-4-甲醛;2-甲基-1H-咪唑-4-甲醛;
英文别名:
2-Methyl-1H-imidazole-5-carbaldehyde;2-Methyl-1H-imidazole-4-carbaldehyde;2-METHYL-1H-IMIDAZOLE-4-CARBOXALDEHYDE;2-methyl-1H-4-imidazolecarbaldehyde;2-methyl-4-imidazolecarboxaldehyde;2-methyl-imidazole-4-carboxaldehyde;2-Methylimidazole-5-carboxaldehyde;4-formyl-2-methylimidazole;AmbkkkkK318;2-甲基咪唑-4-甲醛;AC-30325;SCHEMBL568671;CS-0186659;2-methyl-3H-imidazole-4-carbal-dehyde;2-methyl-4-formylimidazole;1H-Imidazole-4-carboxaldehyde, 2-methyl-;AB05024;MFCD00173725;Z1013690328;A6146;2-Methylimidazole-4-Carboxaldehyede;STR08784;PS-4594;4-Formyl-2-methyl-1H-imidazole;2-Methyl-1H-imidazole-5-carboxaldehyde;35034-22-1;2-methylimidazole-5-carboxaldehyde, AldrichCPR;BP-11000;FT-0612901;ZWULFIBGPXWGFG-UHFFFAOYSA-N;AKOS008901441;AM803754;AKOS015998703;EN300-65153;2-METHYL-3H-IMIDAZOLE-4-CARBALDEHYDE;2-Methyl-1H-imidazole-4-carbaldehyde, AldrichCPR;DTXSID70383812;SY025534;J-019834;2-methylimidazole-4-carbaldehyde;W10346;DB-011063;

标识符

MDL:
MFCD00233362
InChIKey:
ZWULFIBGPXWGFG-UHFFFAOYSA-N
Inchi:
1S/C5H6N2O/c1-4-6-2-5(3-8)7-4/h2-3H,1H3,(H,6,7)
SMILES:
O=CC1=CN=C(C)N1

2-甲基咪唑-4-甲醛(35034-22-1)物化性质

实验特性

  • LogP : 0.53060
  • PSA : 45.75000
  • 折射率 : 1.598
  • 沸点 : 368.1°Cat760mmHg
  • 熔点 : 165 ºC
  • 蒸气压 : 0.0±0.8 mmHg at 25°C
  • 闪点 : 180°C
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 密度 : 1.238

计算特性

  • 精确分子量 : 110.04800
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 110.048
  • 重原子数量 : 8
  • 复杂度 : 94.4
  • 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) : 0.3
  • 互变异构体数量 : 4
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 45.8A^2

2-甲基咪唑-4-甲醛(35034-22-1)国际标准相关数据

EINECS:

2-甲基咪唑-4-甲醛(35034-22-1)海关数据

海关编码:
2933290090
海关数据:

中国海关编码:

2933290090

概述:

2933290090. 其他结构含非稠合咪唑环的化合物. 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:

2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-甲基咪唑-4-甲醛(35034-22-1)相关文献

2-甲基咪唑-4-甲醛(35034-22-1)参考资料

Reaxys RN:
PubChem CID:

2-甲基咪唑-4-甲醛(35034-22-1) MSDS

基础信息

Name:2-Methyl-1h-imidazole-4-carbaldehyde 97% Material Safety Data Sheet
Synonym:
CAS:35034-22-1
Section 1 - Chemical Product ? MSDS Name:2-Methyl-1h-imidazole-4-carbaldehyde 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
35034-22-12-Methyl-1H-imidazole-4-carbaldehyde97%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. 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.
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.
Store under nitrogen.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 35034-22-1: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 161 - 164 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: C5H6N2O
Molecular Weight: 110

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to air.
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# 35034-22-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Methyl-1H-imidazole-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: 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# 35034-22-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 35034-22-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 35034-22-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A