7-羟基-6-甲氧基-3,4-二氢异喹啉

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

7-羟基-6-甲氧基-3,4-二氢异喹啉 基本信息

中文名称:
7-羟基-6-甲氧基-3,4-二氢异喹啉 
中文别名:
7-羟基-6-甲氧基-3,4-二氢异喹啉;
3,4-二氢-7-羟基-6-甲氧基异喹啉;
6-甲氧基-7-羟基-3,4-二氢异喹啉 
英文名称:
7-Isoquinolinol,3,4-dihydro-6-methoxy-
英文别名:
7-Hydroxy-6-methoxy-3,4-dihydroisoquinoline;
6-methoxy-3,4-dihydroisoquinolin-7-ol;
6-Methoxy-7-hydroxy-3,4-dihydroisoquinoline 
CAS No.:
4602-73-7
分 子 式:
C10H11NO2
分 子 量:
177.2
精确分子量:
177.07900
PSA:
41.82000
EINECS:
-0
InChI:
InChI=1/C9H7NO/c11-9-2-1-7-3-4-10-6-8(7)5-9/h1-6,11H
危险品标志:
Xn
风险术语:
R21/22R36/38
安全术语:
S26S36/S37/S39
分子结构式:
SDS:
查看

7-羟基-6-甲氧基-3,4-二氢异喹啉 物化性质

密度:
1.26g/cm3
熔点:
187-191 °C
沸点:
332.1ºC at 760 mmHg
闪点:
154.6ºC
水溶解性:
溶于热水
折射率:
1.69
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

常温常压下稳定,避免与不相容材料接触。

7-羟基-6-甲氧基-3,4-二氢异喹啉 安全信息

海关代码:
29335995
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R21/22;R36/38
安全说明:
36/37/39-26
RTECS号:
YQ8750000
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xn: Harmful;

7-羟基-6-甲氧基-3,4-二氢异喹啉 毒理性

生态数据:

对环境有危害,对水体有污染,禁止进入水体。 

7-羟基-6-甲氧基-3,4-二氢异喹啉 MSDS

Name: 7-Hydroxy-6-methoxy-3 4-dihydroisoquinoline 98% Material Safety Data Sheet
Synonym: 7-Isoquinolinol, 3,4-dihydro-6-methoxy-; 3,4-Dihydro-7-hydroxy-6-methoxyisoquinoline
CAS: 4602-73-7
Section 1 - Chemical Product   MSDS Name:7-Hydroxy-6-methoxy-3 4-dihydroisoquinoline 98% Material Safety Data Sheet
Synonym:7-Isoquinolinol, 3,4-dihydro-6-methoxy-; 3,4-Dihydro-7-hydroxy-6-methoxyisoquinoline

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4602-73-7 7-Hydroxy-6-methoxy-3,4-dihydroisoquin 98 unlisted
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. May be harmful if absorbed through the skin. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
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, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. 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. Dusts at sufficient concentrations can form explosive mixtures with air. 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.

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. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 4602-73-7: 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 minimize contact with skin.
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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 193.00 - 195.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble in hot water
Specific Gravity/Density:
Molecular Formula: C10H11NO2
Molecular Weight: 177.20

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 4602-73-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
7-Hydroxy-6-methoxy-3,4-dihydroisoquinoline - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
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# 4602-73-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4602-73-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4602-73-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

7-羟基-6-甲氧基-3,4-二氢异喹啉 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):0.9

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:1

5.互变异构体数量:3

6.拓扑分子极性表面积41.8

7.重原子数量:13

8.表面电荷:0

9.复杂度:205

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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