133831-28-4 (3-甲酰吲哚-6-羧酸甲酯,Methyl 3-formylindole-6-carboxylate)

CAS号:
133831-28-4
中文名称:
3-甲酰吲哚-6-羧酸甲酯
英文名称:
Methyl 3-formylindole-6-carboxylate
分子式:
C11H9NO3
分子量:
203.194062948227
相关分类:

3-甲酰吲哚-6-羧酸甲酯(133831-28-4)名称与标识符

名称

中文别名:
3-甲酰吲哚-6-羧酸甲酯;3-甲酰基吲哚-6-甲酸甲酯;3-[(4,6-甲氧基嘧啶-2-基)氧基]苯甲酸;6-甲酸甲酯吲哚-3-甲醛;3-甲酰基吲哚-6-羧酸甲酯;3-甲酰基-1H-吲哚-6-羧酸甲酯;
英文别名:
Methyl 3-formyl-1H-indole-6-carboxylate;3-Formylindole-6-carboxylic acid methyl ester;Methyl 3-Formylindole-6-carboxylate;3-Formyl-1H-Indole-6-Carboxylic Acid Methyl Ester;METHYL3-FORMYLINDOLE-6-CARBOXYLATE;methyl-3-formylindole-6-carboxylate;1H-Indole-6-carboxylic acid, 3-formyl-, methyl ester;PubChem9478;Jsp002061;KRDRROJESQUFMJ-UHFFFAOYSA-N;Z1509142296;EN300-235787;AKOS005063055;Q-102570;DTXSID90352868;CS-0094685;AMY7614;SY003638;methyl 3-formyl-1 H-indole-6-carboxylate;AC-3036;6-methoxycarbonylindol-3-carboxaldehyde;F-7295;Methyl 3-formyl-1H-indol-6-carboxylate;133831-28-4;PS-4203;FT-0658100;MFCD00216479;SCHEMBL212820;DB-004520;

标识符

MDL:
MFCD00216479
InChIKey:
KRDRROJESQUFMJ-UHFFFAOYSA-N
Inchi:
1S/C11H9NO3/c1-15-11(14)7-2-3-9-8(6-13)5-12-10(9)4-7/h2-6,12H,1H3
SMILES:
O(C)C(C1C=CC2C(C=O)=CNC=2C=1)=O

3-甲酰吲哚-6-羧酸甲酯(133831-28-4)物化性质

实验特性

  • LogP : 1.76700
  • PSA : 59.16000
  • 折射率 : 1.4950 (estimate)
  • 沸点 : 404.4℃ at 760 mmHg
  • 熔点 : 219-224 °C
  • 闪点 : 198.4℃
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 1.2621 (rough estimate)

计算特性

  • 精确分子量 : 203.05800
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 同位素质量 : 203.058243
  • 重原子数量 : 15
  • 复杂度 : 267
  • 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) : 1.5
  • 互变异构体数量 : 5
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 59.2

3-甲酰吲哚-6-羧酸甲酯(133831-28-4)安全信息

3-甲酰吲哚-6-羧酸甲酯(133831-28-4)海关数据

海关编码:
2933990090
海关数据:

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 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:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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3-甲酰吲哚-6-羧酸甲酯(133831-28-4) MSDS

基础信息

Name:Methyl 3-Formylindole-6-Carboxylate 95+% Material Safety Data Sheet
Synonym:Non
CAS:133831-28-4
Section 1 - Chemical Product ? MSDS Name:Methyl 3-Formylindole-6-Carboxylate 95+% Material Safety Data Sheet
Synonym:Non

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
133831-28-4Methyl 3-Formylindole-6-Carboxylate95+unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:

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 agent most appropriate to extinguish fire. 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. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels below recommended exposure limits. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 133831-28-4: 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:
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: light purple
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 220.00 - 224.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: negligible
Specific Gravity/Density:
Molecular Formula: C11H9NO3
Molecular Weight: 203.20

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures. Stability unknown.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 133831-28-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 3-Formylindole-6-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
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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 133831-28-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 133831-28-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 133831-28-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A