6960-46-9 (7-硝基吲哚-2-甲酸乙酯,Ethyl 7-nitro-1H-indole-2-carboxylate)

CAS号:
6960-46-9
中文名称:
7-硝基吲哚-2-甲酸乙酯
英文名称:
Ethyl 7-nitro-1H-indole-2-carboxylate
分子式:
C11H10N2O4
分子量:
234.208102703094

7-硝基吲哚-2-甲酸乙酯(6960-46-9)名称与标识符

名称

中文别名:
7-硝基吲哚-2-甲酸乙酯;7-硝基吲哚-2-羧酸乙酯;N-BOC-N-甲基-3-氨甲基苄胺;7-硝基-1H-吲哚-2-甲酸乙酯;
英文别名:
Ethyl 7-nitro-1H-indole-2-carboxylate;1H-Indole-2-carboxylic acid, 7-nitro-, ethyl ester;7-Nitroindole-2-carboxylic acid ethyl ester;Ethyl 7-nitroindole-2-carboxylate;Indole-2-carboxylicacid, 7-nitro-, ethyl ester (6CI,8CI);NSC 69878;Ethyl-7-nitro-1H-indole-2-carboxylate;GTZAIVBXGPLYGD-UHFFFAOYSA-N;NSC69878;Oprea1_376503;ethyl 7-nitro-2-indolecarboxylate;0752AC;SBB057596;VI30367;7-Chloro-3-ethyl-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide;DTXSID30290598;6960-46-9;NSC-69878;Ethyl 7-nitro-1H-indole-2-carboxylate #;FT-0636316;CCG-236914;SR-01000512230-1;SCHEMBL1016404;SY062659;AKOS005135916;SR-01000512230;PS-3452;CS-0041751;A836560;AM10039;MFCD00216475;Indole-2-carboxylic acid, 7-nitro-, ethyl ester;N-3305;DB-055304;

标识符

MDL:
MFCD00216475
InChIKey:
GTZAIVBXGPLYGD-UHFFFAOYSA-N
Inchi:
1S/C11H10N2O4/c1-2-17-11(14)8-6-7-4-3-5-9(13(15)16)10(7)12-8/h3-6,12H,2H2,1H3
SMILES:
O(CC)C(C1=CC2C=CC=C(C=2N1)[N+](=O)[O-])=O

7-硝基吲哚-2-甲酸乙酯(6960-46-9)物化性质

实验特性

  • LogP : 2.77600
  • PSA : 87.91000
  • 折射率 : 1.5300 (estimate)
  • 水溶性 : 可忽略
  • 沸点 : 376.52°C (rough estimate)
  • 熔点 : 90-96 ºC
  • 闪点 : 213.5 °C
  • 颜色与性状 : 黄色或棕色粉末
  • 溶解性 : 微溶于水
  • 密度 : 1.3240 (rough estimate)

计算特性

  • 精确分子量 : 234.06400
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 同位素质量 : 234.064
  • 重原子数量 : 17
  • 复杂度 : 315
  • 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) : 3
  • 互变异构体数量 : 6
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 87.9

7-硝基吲哚-2-甲酸乙酯(6960-46-9)国际标准相关数据

EINECS:

7-硝基吲哚-2-甲酸乙酯(6960-46-9)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%

7-硝基吲哚-2-甲酸乙酯(6960-46-9)推荐厂家 更多厂家(19)

7-硝基吲哚-2-甲酸乙酯(6960-46-9)参考资料

Reaxys RN:
PubChem CID:

7-硝基吲哚-2-甲酸乙酯(6960-46-9) MSDS

基础信息

Name:Ethyl 7-nitroindole-2-carboxylate 95+% Material Safety Data Sheet
Synonym:None
CAS:6960-46-9
Section 1 - Chemical Product ? MSDS Name:Ethyl 7-nitroindole-2-carboxylate 95+% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
6960-46-9Ethyl 7-nitroindole-2-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.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. 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:
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:

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:
Sweep up, then place into a suitable 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. Avoid ingestion and inhalation.
Storage:
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:
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# 6960-46-9: 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
Color: pale yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 90.00 - 92.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: negligible
Specific Gravity/Density: Not available.
Molecular Formula: C11H10N2O4
Molecular Weight: 234.21

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
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# 6960-46-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 7-nitroindole-2-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.
WGK (Water Danger/Protection)
CAS# 6960-46-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6960-46-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6960-46-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A