1,2,3,4-四氢异喹啉-3-羧酸

1,2,3,4-四氢异喹啉-3-羧酸 基本信息
CAS号 67123-97-1 分子式 C10H11NO2
分子量 177.20000 精确质量  177.07900
PSA  49.33000 LogP  1.11430

等价的CAS号:

35186-99-3,67123-97-1,74163-81-8,103733-65-9

基本信息 展开↓

CAS号:
67123-97-1
3D弹球模型:
立即前往扯扯看
分子式:
C10H11NO2
分子量:
177.20000
中文名称:
1,2,3,4-四氢异喹啉-3-羧酸
英文名称:
1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
中文别名:
1,2,3,4-四氢异喹啉-3-羧酸;
1,2,3,4-四氢异喹啉-3(S)-羧酸
英文别名:
1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid;
3-CARBOXY-1,2,3,4-TETRAHYDROISOQUINOLINE;
1,2,3.4-tetrahydroisoquinoline-3-carboxylic acid;
(+/-)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid;
DL-3-Carboxy-1,2,3,4-tetrahydroisoquinoline;
rac 3-Carboxy-1,2,3,4-tetrahydroisoquinoline;
3-Isoquinolinecarboxylicacid,1,2,3,4-tetrahydro;
(+/-)-Porretine;
1,2,3,4-Tetrahydroisoquinoline-3Carboxylic;
H-DL-TIC-OH
精确分子量/精确质量:
177.07900
极性分子表面积/PSA:
49.33000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
266-580-4
InChI:
The Key: BWKMGYQJPOAASG-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
白色固体
密度:
1.225 g/cm3
熔点:
358ºC
沸点:
372ºC at 760 mmHg
闪点:
178.8ºC

安全信息展开↓

海关代码:
2933499090
危险类别码:
R36/37/38
安全说明:
26-36/37/39
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 50-00-0

    甲醛

  • +

  • 150-30-1

    DL-苯丙氨酸

  • ~99%

  • 67123-97-1

    1,2,3,4-四氢异喹啉-3-羧酸

  • 143767-54-8

    2-乙酰基-1,2,3,4-四氢异喹啉-3-甲酸

  • ~86%

  • 67123-97-1

    1,2,3,4-四氢异喹啉-3-羧酸

  • 50-00-0

    甲醛

  • +

  • 63-91-2

    L-苯丙氨酸

  • ~70%

  • 67123-97-1

    1,2,3,4-四氢异喹啉-3-羧酸

MSDS 展开↓

Name: 1 2 3 4-Tetrahydroisoquinoline-3-carboxylic acid 98% Material Safety Data Sheet
Synonym:
CAS: 67123-97-1
Section 1 - Chemical Product   MSDS Name:1 2 3 4-Tetrahydroisoquinoline-3-carboxylic acid 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
67123-97-1 1,2,3,4-Tetrahydroisoquinoline-3-carbo 98% 266-580-4
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
Non-irritating to the eyes.
Skin:
Non-irritating to the skin. May be harmful if absorbed through the skin.
Ingestion:
May be harmful if swallowed.
Inhalation:
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:

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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 67123-97-1: 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: Crystals
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 321 - 325 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:
Specific Gravity/Density:
Molecular Formula: C10H11NO2
Molecular Weight: 177.0825

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 67123-97-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,2,3,4-Tetrahydroisoquinoline-3-carboxylic 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
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.
WGK (Water Danger/Protection)
CAS# 67123-97-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 67123-97-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 67123-97-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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
摘要/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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