四氢-6,7-异喹啉二醇

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品

四氢-6,7-异喹啉二醇 基本信息

中文名称:
四氢-6,7-异喹啉二醇 
中文别名:
四氢-6,7-异喹啉二醇;
1,2,3,4-四氢-6,7-异喹啉二醇氢溴酸盐 
英文名称:
6,7-Isoquinolinediol,1,2,3,4-tetrahydro-, hydrobromide (1:1)
英文别名:
1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;
6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline hydrobromide;
1,2,3,4-TETRAHYDRO-6,7-ISOQUINOLINEDIOL HYDROBROMIDE;
1,2,3,4-tetrahydro-6,7-isoquinolinediol hydrobromide;
1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide;
1,2,3,4-tetrahydro-6,7-isoquinolinediorhydrobromide 
CAS No.:
52768-23-7
分 子 式:
C9H11NO2.BrH
分 子 量:
246.1
精确分子量:
245.00500
PSA:
52.49000
InChI:
The Key: LBDAQUYUIYKBKJ-UHFFFAOYSA-N
风险术语:
36/37/38
分子结构式:
SDS:
查看

四氢-6,7-异喹啉二醇 物化性质

外观与性状:
米色至棕色粉末
熔点:
210ºC
沸点:
379.3ºC at 760mmHg
闪点:
202.8ºC

四氢-6,7-异喹啉二醇 安全信息

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

四氢-6,7-异喹啉二醇 MSDS

Name: 1 2 3 4-Tetrahydro-6 7-isoquinolinediol hy drobromide 98% Material Safety Data Sheet
Synonym:
CAS: 52768-23-7
Section 1 - Chemical Product   MSDS Name:1 2 3 4-Tetrahydro-6 7-isoquinolinediol hy drobromide 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
52768-23-7 1,2,3,4-Tetrahydro-6,7-isoquinolinedio unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes 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.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
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:
Wash thoroughly after handling. Use with adequate ventilation. 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# 52768-23-7: 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: Solid
Color: beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 210 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: C9H11NO2.HBr
Molecular Weight: 246.10

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing materials.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 52768-23-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,2,3,4-Tetrahydro-6,7-isoquinolinediol hydrobromide - 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: 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# 52768-23-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 52768-23-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 52768-23-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

四氢-6,7-异喹啉二醇 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
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%

四氢-6,7-异喹啉二醇 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):0.6

2.氢键供体数量:3

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:18

6.拓扑分子极性表面积:57.1

7.重原子数量:12

8.表面电荷:1

9.复杂度:163

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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