5984-56-5 (1,3-二金刚烷醇,Isonipecotic acid hydrochloride)

CAS号:
5984-56-5
中文名称:
1,3-二金刚烷醇
英文名称:
Isonipecotic acid hydrochloride
分子式:
C6H12ClNO2
分子量:
165.617980957031

1,3-二金刚烷醇(5984-56-5)名称与标识符

名称

中文别名:
1,3-二金刚烷醇;4-哌啶甲酸盐酸盐;
英文别名:
Piperidine-4-carboxylic acid hydrochloride;4-Piperidinecarboxylic acid;> 10 Kgiperidine-4-carboxylic acid hydrochloride;1,3-ADAMANTANDIOL;Isonipecotic acid hydrochloride;4-Piperidinecarboxylic acid hydrochloride;Adamantane-1,3-Diol;4-Piperidinecarboxylic acid, hydrochloride;9Y7QNE4DH3;Piperidine-4-carboxylic acid, HCl;piperidine-4-carboxylic acid, chloride;Isonipecotic acid, hydrochloride;Isonipecotic acid hydrochloride [MI];4-Piperidinecarboxylic acid, hydrochloride (1:1);NVUYWKBRSRPYMH-UHFFFAOYSA-N;A;DTXSID00208564;TS-02226;Q27273381;SCHEMBL1703706;piperidine-4-carboxylicacidhydrochloride;MFCD00044736;PIPERIDINE-4-CARBOXYLIC ACID HCL;A832502;UNII-9Y7QNE4DH3;F0001-1572;NS00034251;piperidine-4-carboxylic acid;hydrochloride;CS-0054434;AKOS015897807;SB10228;FT-0635929;5984-56-5;O12044;DB-053473;

标识符

MDL:
MFCD00044736
InChIKey:
NVUYWKBRSRPYMH-UHFFFAOYSA-N
Inchi:
1S/C6H11NO2.ClH/c8-6(9)5-1-3-7-4-2-5;/h5,7H,1-4H2,(H,8,9);1H
SMILES:
Cl.OC(C1CCNCC1)=O

1,3-二金刚烷醇(5984-56-5)物化性质

实验特性

  • LogP : 1.20140
  • PSA : 49.33000
  • 水溶性 : 320 g/L (20 ºC)
  • 沸点 : 265.8 °C at 760 mmHg
  • 熔点 : 295 ºC
  • 闪点 : 114.5 °C
  • 颜色与性状 : 白色或奶油色结晶性粉末
  • 溶解性 : 溶于水

计算特性

  • 精确分子量 : 165.05600
  • 氢键供体数量 : 3
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 165.056
  • 重原子数量 : 10
  • 复杂度 : 108
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 2
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 49.3

1,3-二金刚烷醇(5984-56-5)安全信息

1,3-二金刚烷醇(5984-56-5)海关数据

海关编码:
2933399090
海关数据:

中国海关编码:

2933399090

概述:

2933399090. 其他结构含非稠合吡啶环的化合物. 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

Summary:

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1,3-二金刚烷醇(5984-56-5)推荐厂家 更多厂家(15)

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1,3-二金刚烷醇(5984-56-5) MSDS

基础信息

Name:Isonipecotic acid hydrochloride 97% Material Safety Data Sheet
Synonym:4-Piperidinecarboxylic acid, hydrochlorid
CAS:5984-56-5
Section 1 - Chemical Product ? MSDS Name:Isonipecotic acid hydrochloride 97% Material Safety Data Sheet
Synonym:4-Piperidinecarboxylic acid, hydrochlorid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
5984-56-5Isonipecotic acid hydrochloride97unlisted
Hazard Symbols: XN
Risk Phrases: 22

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful if swallowed.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.

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:

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 water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. 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 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# 5984-56-5: 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: almost white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 295 deg C
Autoignition Temperature: 450 deg C ( 842.00 deg F)
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 295 deg C
Solubility in water: Soluble.
Specific Gravity/Density: Not available.
Molecular Formula: C6H11NO2.HCl
Molecular Weight: 165.62

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 5984-56-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Isonipecotic acid hydrochloride - 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: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 5984-56-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5984-56-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5984-56-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A