3,4-dihydro-6-hydroxy-7-methoxy-1-methylisoquinoline | 4602-70-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢异喹啉
• 英文名称: 3,4-dihydro-6-hydroxy-7-methoxy-1-methylisoquinoline
• 英文别名: 1-Methyl-6-hydroxy-7-methoxy-3,4-dihydro-isochinolin；7-methoxy-1-methyl-3,4-dihydro-isoquinolin-6-ol；7-Methoxy-1-methyl-3,4-dihydro-6-isoquinolinol；7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol
• CAS: 4602-70-4
• 化学式: C₁₁H₁₃NO₂
• 分子量: 191.23
• InChiKey: IVLSEZMELCTWIF-UHFFFAOYSA-N

物化性质

• 熔点：
  182 °C
• 沸点：
  326.97°C (rough estimate)
• 密度：
  1.1258 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933499090

SDS

Name:	1-Methyl-7-Hydroxy-6-Methoxy-3 4-Dihydroisoquinoline 99+% Material Safety Data Sheet
Synonym:	(+/-)-Isosalsoline
CAS:	4602-70-4

Section 1 - Chemical Product MSDS Name:1-Methyl-7-Hydroxy-6-Methoxy-3 4-Dihydroisoquinoline 99+% Material Safety Data Sheet
Synonym:(+/-)-Isosalsoline

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
4602-70-4	1-Methyl-7-Hydroxy-6-Methoxy-3,4-Dihyd	99+%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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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.

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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:
Never give anything by mouth to an unconscious person. 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:

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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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire.

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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.

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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. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 4602-70-4: 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:
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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 183.00 - 186.00 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: soluble in hot water
Specific Gravity/Density:
Molecular Formula: C11H13NO2
Molecular Weight: 191.23

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 4602-70-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Methyl-7-Hydroxy-6-Methoxy-3,4-Dihydroisoquinoline - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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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:

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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# 4602-70-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4602-70-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4602-70-4 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为产物：
  描述：

  甲基6-羟基-7-甲氧基-1,2,3,4-四氢异喹啉-1-羧酸酯 生成 3,4-dihydro-6-hydroxy-7-methoxy-1-methylisoquinoline
  参考文献：
  名称：

  COUTTS I. G. C.; HAMBLIN M. R.; TINLEY E. J.; BOBBITT J. M., J. CHEM. SOC. PERKIN TRANS., 1979, PART 1, NO 11, 2744-2750

  摘要：

  DOI：

文献信息

• Fujii, Tozo; Yamada, Koichiro; Minami, Shinzaburo, Chemical and pharmaceutical bulletin, 1983, vol. 31, # 8, p. 2583 - 2592
  作者：Fujii, Tozo、Yamada, Koichiro、Minami, Shinzaburo、Yoshifuji, Shigeyuki、Ohba, Masashi

  DOI：——

  日期：——
• FSH RECEPTOR ANTAGONISTS
  申请人：Merck Sharp & Dohme B.V.

  公开号：EP2763986B1

  公开（公告）日：2017-06-07
• COUTTS I. G. C.; HAMBLIN M. R.; TINLEY E. J.; BOBBITT J. M., J. CHEM. SOC. PERKIN TRANS., 1979, PART 1, NO 11, 2744-2750
  作者：COUTTS I. G. C.、 HAMBLIN M. R.、 TINLEY E. J.、 BOBBITT J. M.

  DOI：——

  日期：——