5382-49-0 (1,2,3,4-四氢喹啉-6-甲酸,1,2,3,4-Tetrahydroquinoline-6-carboxylic acid)

CAS号:
5382-49-0
中文名称:
1,2,3,4-四氢喹啉-6-甲酸
英文名称:
1,2,3,4-Tetrahydroquinoline-6-carboxylic acid
分子式:
C10H11NO2
分子量:
177.199842691422

1,2,3,4-四氢喹啉-6-甲酸(5382-49-0)名称与标识符

名称

中文别名:
1,2,3,4-四羟基-6-羧酸喹啉;1,2,3,4-四氢基-6-羧酸喹啉;1,2,3,4-四氢喹啉-6-羧酸;1,2,3,4-四氢喹啉-6-甲酸;
英文别名:
1,2,3,4-Tetrahydroquinoline-6-carboxylic acid;1,2,3,4-Tetrahydro-6-quinolinecarboxylic Acid;6-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-;C10H11NO2;Tetrahydroquinoline-6-carboxylic acid;1,2,3,4-tetrahydro-quinoline-6-carboxylic acid;6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-;Maybridge3_004537;Oprea1_120515;MLS000850631;ARNALYPZOYPNAF-UHFFFAOYSA-N;HMS2797F07;HMS1443O05;SBB089268;STL553850;BBL100283;7685AB;IDI1_015924;SMR0004566;5382-49-0;MFCD00957087;SB37569;SR-01000473575-1;1,2,3,4-tetrahydroquinolin-6-carboxylic acid;SMR000456649;J-503772;DS-11058;CHEMBL1507634;SR-01000473575;1,2,3,4-Tetrahydroquinoline-6-carboxylicacid;1,2,3,4-tetrahydro-6-quinolinecarboxylic acid, AldrichCPR;DTXSID80381480;AMY20042;SCHEMBL45202;FT-0606192;SY003732;EN300-37427;A870625;CS-W006431;AKOS009159525;DB-052403;

标识符

MDL:
MFCD00957087
InChIKey:
ARNALYPZOYPNAF-UHFFFAOYSA-N
Inchi:
1S/C10H11NO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2,(H,12,13)
SMILES:
OC(C1C=CC2=C(C=1)CCCN2)=O

1,2,3,4-四氢喹啉-6-甲酸(5382-49-0)物化性质

实验特性

  • LogP : 1.88090
  • PSA : 49.33000
  • 沸点 : 382.6°C at 760 mmHg
  • 熔点 : 169-171 ºC
  • 闪点 : 185.2℃
  • 溶解度 : 微溶 (3.5 g/L) (25 ºC),
  • 密度 : 1.223±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 177.07900
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 177.078978594g/mol
  • 重原子数量 : 13
  • 复杂度 : 205
  • 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
  • 拓扑分子极性表面积 : 49.3

1,2,3,4-四氢喹啉-6-甲酸(5382-49-0)海关数据

海关编码:
2933499090
海关数据:

中国海关编码:

2933499090

概述:

2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 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:

2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1,2,3,4-四氢喹啉-6-甲酸(5382-49-0) MSDS

基础信息

Name:1 2 3 4-Tetrahydro-6-quinolinecarboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS:5382-49-0
Section 1 - Chemical Product ? MSDS Name:1 2 3 4-Tetrahydro-6-quinolinecarboxylic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
5382-49-01,2,3,4-Tetrahydro-6-quinolinecarboxyl97%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. 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. 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.
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:
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# 5382-49-0: 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: beige
Odor: odorless - slight odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C10H11NO2
Molecular Weight: 177.2

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 5382-49-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,2,3,4-Tetrahydro-6-quinolinecarboxylic acid - 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# 5382-49-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5382-49-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5382-49-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A