41220-48-8 (D-1,2,3,4-四氢异喹啉-3-羧酸盐酸盐,(R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride)

CAS号:
41220-48-8
中文名称:
D-1,2,3,4-四氢异喹啉-3-羧酸盐酸盐
英文名称:
(R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride
分子式:
C10H12ClNO2
分子量:
213.660781860352

D-1,2,3,4-四氢异喹啉-3-羧酸盐酸盐(41220-48-8)名称与标识符

名称

中文别名:
D-1,2,3,4-四氢异喹啉-3-羧酸盐酸盐;
英文别名:
(R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride;(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate;3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, hydrochloride (1:1), (3R)-;(3R)-1,2,3,4-terahydroisoquinoline-3-carboxylic acid hydrochloride;(3R)-1,2,3,4-tetrahydroisoquinole-3-carboxylic acid hydrochloride;(3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride;D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride;D-tetrahydroisoquinoline-3-carboxylic acid hydrochloride;(R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylicacidhydrochloride;AKOS022183328;41220-48-8;SCHEMBL7272490;CS-0287443;EN300-78631;(3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride;

标识符

InChIKey:
FXHCFPUEIDRTMR-SBSPUUFOSA-N
Inchi:
1S/C10H11NO2.ClH/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H/t9-;/m1./s1
SMILES:
Cl.OC([C@H]1CC2C=CC=CC=2CN1)=O

D-1,2,3,4-四氢异喹啉-3-羧酸盐酸盐(41220-48-8)物化性质

实验特性

  • LogP : 1.91630
  • PSA : 49.33000
  • 熔点 : 300 °C
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用

计算特性

  • 精确分子量 : 213.05600
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 213.056
  • 重原子数量 : 13
  • 复杂度 : 200
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 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) : -0.7
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 49.3A^2

D-1,2,3,4-四氢异喹啉-3-羧酸盐酸盐(41220-48-8)安全信息

D-1,2,3,4-四氢异喹啉-3-羧酸盐酸盐(41220-48-8)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%

D-1,2,3,4-四氢异喹啉-3-羧酸盐酸盐(41220-48-8)上下游

D-1,2,3,4-四氢异喹啉-3-羧酸盐酸盐(41220-48-8) MSDS

基础信息

Name:D-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid Hydrochloride Material Safety Data Sheet
Synonym:None.
CAS:41220-48-8
Section 1 - Chemical Product MSDS Name: D-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid Hydrochloride Material Safety Data Sheet
Synonym: None.
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
41220-48-8D-1,2,3,4-Tetrahydroisoquinoline-3-Carca 100unlisted
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.
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:
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 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:
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. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. 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# 41220-48-8: 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: white to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 300 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H11NO2.HCl
Molecular Weight: 213.66
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 41220-48-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
D-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid Hydrochloride - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:


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# 41220-48-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 41220-48-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 41220-48-8 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 5/03/1999 Revision #2 Date: 5/20/2002 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A