1128-00-3 (5-氨基-8-三氟甲氧基喹啉,Ethyl 2-Amino-1-cyclohexene-1-carboxylate)

CAS号:
1128-00-3
中文名称:
5-氨基-8-三氟甲氧基喹啉
英文名称:
Ethyl 2-Amino-1-cyclohexene-1-carboxylate
分子式:
C9H15NO2
分子量:
169.220902681351

5-氨基-8-三氟甲氧基喹啉(1128-00-3)名称与标识符

名称

中文别名:
2-氨基-1-环己烯-1-甲酸乙酯;2-氨基-1-环己烯-1-羧酸乙酯;2-氨基环己烯-1-羧酸乙酯;5-氨基-8-三氟甲氧基喹啉;
英文别名:
Ethyl 2-aminocyclohex-1-enecarboxylate;Ethyl 2-Amino-1-cyclohexene-1-carboxylate;1-Cyclohexene-1-carboxylicacid, 2-amino-, ethyl ester;Ethyl 2-aminocyclohex-1-ene-1-carboxylate;2-AMINO-CYCLOHEX-1-ENECARBOXYLIC ACID ETHYL ESTER;ethyl 2-aminocyclohexene-1-carboxylate;1-Cyclohexene-1-carboxylic acid, 2-amino-, ethyl ester;NSC225254;2-Amino-cyclohex-1-enecarboxylicacidethylester;2-Amino-1-cyclohexenecarboxylic acid ethyl ester;JBZVWABPSHNPIK;JBZVWABPSHNPIK-UHFFFAOY;Ethyl-2-amino-1-cyclohexene-1-carboxylate;AC-23496;CHEBI:167793;GS-0615;MFCD01863243;AKOS003342974;1128-00-3;DTXSID90310322;FT-0633379;SCHEMBL1144592;J-508033;CS-0130310;NSC-225254;JBZVWABPSHNPIK-UHFFFAOYSA-N;BCP27748;ethyl cis-2-aminocyclohexenecarboxylate;A2275;GEO-03438;2-Aminocyclohex-1-enecarboxylic acid ethyl ester;BP-12872;NS00015775;SY013212;ALBB-025572;DB-041120;

标识符

MDL:
MFCD01863243
InChIKey:
JBZVWABPSHNPIK-UHFFFAOYSA-N
Inchi:
1S/C9H15NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6,10H2,1H3
SMILES:
O(CC)C(C1=C(CCCC1)N)=O

5-氨基-8-三氟甲氧基喹啉(1128-00-3)物化性质

实验特性

  • LogP : 2.03660
  • PSA : 52.32000
  • 折射率 : 1.4580 (estimate)
  • 沸点 : 290.1°C at 760 mmHg
  • 熔点 : 70-74 °C
  • 闪点 : 129.3℃
  • 颜色与性状 : 白色或浅黄色晶体
  • 溶解性 : 溶于乙醚,氯仿,乙醇
  • 密度 : 1.0873 (rough estimate)

计算特性

  • 精确分子量 : 169.11000
  • 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 : 169.11
  • 重原子数量 : 12
  • 复杂度 : 209
  • 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 : 5
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 52.3

5-氨基-8-三氟甲氧基喹啉(1128-00-3)安全信息

5-氨基-8-三氟甲氧基喹啉(1128-00-3)海关数据

海关编码:
2922499990
海关数据:

中国海关编码:

2922499990

概述:

2922499990 其他氨基酸及其酯及它们的盐(含有一种以上含氧基的除外). 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 最惠国关税:6.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

P.进境动植物、动植物产品检疫
Q.出境动植物、动植物产品检疫
R.进口食品卫生监督检验
S.出口食品卫生监督检验
M.进口商品检验
N.出口商品检验

Summary:

HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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5-氨基-8-三氟甲氧基喹啉(1128-00-3)上下游

5-氨基-8-三氟甲氧基喹啉(1128-00-3) MSDS

基础信息

Name:Ethyl 2-amino-1-cyclohexene-1-carboxylate 98% Material Safety Data Sheet
Synonym:None Known
CAS:1128-00-3
Section 1 - Chemical Product ? MSDS Name:Ethyl 2-amino-1-cyclohexene-1-carboxylate 98% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
1128-00-3Ethyl 2-amino-1-cyclohexene-1-carboxyl98%unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Light sensitive.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: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. 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 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Store protected from light.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store protected from light.

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# 1128-00-3: 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: Crystals
Color: white to light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 70 - 74 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: soluble in ether, chloroform, ethanol
Specific Gravity/Density:
Molecular Formula: NH2C6H8COOCH2CH3
Molecular Weight: 169.22

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Light sensitive.
Conditions to Avoid:
Light, dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 1128-00-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2-amino-1-cyclohexene-1-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# 1128-00-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1128-00-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1128-00-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A