盐酸骆驼蓬灵

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 下游产品
  • 表征图谱

盐酸骆驼蓬灵 基本信息

中文名称:
盐酸骆驼蓬灵 
中文别名:
盐酸骆驼蓬灵;
骆驼蓬灵盐酸盐二水合物 
英文名称:
3H-Pyrido[3,4-b]indole,4,9-dihydro-7-methoxy-1-methyl-, hydrochloride, hydrate (1:1:2)
英文别名:
HARMALINE HYDROCHLORIDE DIHYDRATE;
4,9-dihydro-7-methoxy-1-methyl-3H-Pyrido[3,4-b]indole hydrochloride hydrate;
Harmaline hydrochloride;
HARMALOL METHYL ETHER HYDROCHLORIDE DIHYDRATE;
3,4-DIHYDRO-7-METHOXY-1-METHYL-9H-PYRIDO[3,4-B]-INDOLE HYDROCHLORIDE DIHYDRATE;
HARMALINE HCL DIHYDRATE(RG) 
CAS No.:
6027-98-1
分 子 式:
C13H14N2O.ClH.2H2O
分 子 量:
286.75
精确分子量:
286.10800
PSA:
55.84000
EINECS:
253-734-0
InChI:
The Key: PULNGKOFHCQQQA-UHFFFAOYSA-N
风险术语:
R20/21/22
安全术语:
S22S24/25
分子结构式:
SDS:
查看

盐酸骆驼蓬灵 物化性质

熔点:
232-240 °C
沸点:
426.4ºC at 760 mmHg
闪点:
211.7ºC
存储条件/存储方法:

-20℃ 避光,阴凉干燥处,密封保存

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):232-240

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.     溶解性:未确定

盐酸骆驼蓬灵 安全信息

包装等级:
III
风险类别:
6.1(b)
海关代码:
2933990090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S22-S24/25
RTECS号:
MG8750000
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。
危险标志:
Xn,Xi

盐酸骆驼蓬灵 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MG8750000
CHEMICAL NAME :
Harmaline, hydrochloride, dihydrate
CAS REGISTRY NUMBER :
6027-98-1
LAST UPDATED :
199106
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C13-H14-N2-O.Cl-H.2H2-O
MOLECULAR WEIGHT :
286.79

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
120 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
TRSEAO Transactions of the Royal Society of Edinburgh. (Edinburgh, Scotland) V.1-70, 1783-1979. Volume(issue)/page/year: 47,245,1909
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
TRSEAO Transactions of the Royal Society of Edinburgh. (Edinburgh, Scotland) V.1-70, 1783-1979. Volume(issue)/page/year: 47,245,1909
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
TRSEAO Transactions of the Royal Society of Edinburgh. (Edinburgh, Scotland) V.1-70, 1783-1979. Volume(issue)/page/year: 47,245,1909
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TRSEAO Transactions of the Royal Society of Edinburgh. (Edinburgh, Scotland) V.1-70, 1783-1979. Volume(issue)/page/year: 47,245,1909
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TRSEAO Transactions of the Royal Society of Edinburgh. (Edinburgh, Scotland) V.1-70, 1783-1979. Volume(issue)/page/year: 47,245,1909
毒理学数据:

急性毒性:

1.小鼠皮下最低毒剂LDLo120mg/kg周围神经和感觉-弛缓性麻痹不麻醉(通常是神经肌肉阻滞)行为-惊厥或癫痫阈值的影响肺部,胸部或呼吸-呼吸困难

2.哺乳动物猫皮下最低毒剂LDLo100mg/kg周围神经和感觉-弛缓性麻痹不麻醉(通常是神经肌肉阻滞)行为-惊厥或癫痫阈值的影响肺部,胸部或呼吸-呼吸困难

3.小兔皮下最低毒剂LDLo100mg/kg周围神经和感觉-弛缓性麻痹不麻醉(通常是神经肌肉阻滞)行为-惊厥或癫痫阈值的影响肺部,胸部或呼吸-呼吸困难

4.豚鼠皮下最低毒剂LDLo100mg/kg毒性作用的描述没有报告除此以外的其他致死剂量值。

5.两栖类动物—青蛙皮下最低毒剂LDLo250mg/kg毒性作用的描述没有报告除此以外的其他致死剂量值。

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境.

盐酸骆驼蓬灵 MSDS

Name: Harmaline hydrochloride dihydrate Material Safety Data Sheet
Synonym: None listed
CAS: 6027-98-1
Section 1 - Chemical Product   MSDS Name:Harmaline hydrochloride dihydrate Material Safety Data Sheet
Synonym:None listed

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6027-98-1 Harmaline hydrochloride dihydrate 99 unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. 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:
Exposure to high concentrations may cause central nervous system depression.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately 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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use carbon dioxide, dry chemical powder or water spray.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Wash area with soap and water. Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 6027-98-1: 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: Powder
Color: yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 239.00 - 240.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Moderately Soluble.
Specific Gravity/Density: Not available.
Molecular Formula: C13H14N2O.HCl.2H2O
Molecular Weight: 286.76

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 6027-98-1: MG8750000 LD50/LC50:
Not available.
Carcinogenicity:
Harmaline hydrochloride dihydrate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

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

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: II

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 23 Do not inhale gas/fumes/vapour/spray.
WGK (Water Danger/Protection)
CAS# 6027-98-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6027-98-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6027-98-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

盐酸骆驼蓬灵 海关数据

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 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:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

盐酸骆驼蓬灵 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):无

2.氢键供体数量:4

3.氢键受体数量:5

4.可旋转化学键数量:1

5.互变异构体数量:5

6.拓扑分子极性表面积35.6

7.重原子数量:19

8.表面电荷:0

9.复杂度:504

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:4

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盐酸骆驼蓬灵 表征图谱

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