1-甲基-1,2,3,6-四氢吡啶

1-甲基-1,2,3,6-四氢吡啶 基本信息
CAS号 694-55-3 分子式 C6H11N
分子量 97.15820 精确质量 　97.08910
PSA 　3.24000 LogP 　0.81600
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
694-55-3
3D弹球模型：
立即前往扯扯看
分子式：
C6H11N
分子量：
97.15820
中文名称：
1-甲基-1,2,3,6-四氢吡啶
英文名称：
1-methyl-3,6-dihydro-2H-pyridine
中文别名：
1-甲基-1,2,3,6-四氢吡啶;
1-Methyl-3-piperideine N-methyl-1,2,5,6-tetrahydropyridine Pyridine, 1,2,3,6-tetrahydro-1-methyl- 1,2,3,4-Tetrahydro-1-methylpyridine 1,2,3,6-Tetrahydro-1-methylpyridine 1-Methyl-1,2,5,6-tetrahydropyridine
英文别名：
1-methyl-3,6-dihydro-2H-pyridine;
Pyridine,2,3,6-tetrahydro-1-methyl;
N-methyl-1,2,3,6-tetrahydropyridine;
Pyridine,1,2,3,6-tetrahydro-1-methyl;
N-methyl-3,4-didehydropiperidine;
1-Methyl-1,2,3,6-tetrahydropyridine;
N-Methyl-1,5,6-tetrahydropyridine;
1-Methyl-3-piperideine;
1-Methyl-1,2,3,6-tetrahydro-pyridin;
1-methyl-1,2,5,6-tetrahydropyridine
精确分子量/精确质量：
97.08910
极性分子表面积/PSA：
3.24000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00066921
EINECS：
211-773-0
InChI：
The Key: AUFIRGPROMANKW-UHFFFAOYSA-N

物化性质展开↓

密度：
0.877g/cm3
沸点：
138.039ºC at 760 mmHg
闪点：
29.255ºC
折射率：
1.47
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。
 与强氧化剂反应。

其它信息：

1.      性状：灰白色或浅米色结晶状粉末

2.      密度（g/mL,25℃）：未确定

3.      相对蒸汽密度（g/mL,空气=1）：未确定

4.      熔点（ºC）：198-202

5.      沸点（ºC,常压）：未确定

6.      沸点（ºC,6mmHg）：未确定

7.      折射率(n20/D)：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,20ºC）：未确定

12.   饱和蒸气压（kPa,25ºC）：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

安全信息展开↓

海关代码：
2933399090
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。
:

合成路线查看所有的合成路线

  • 930-73-4

    1-甲基吡啶碘化物

  • →

    ~25%

  • 33707-38-9

    1-methyl-2H-pyridine

  • +

  • 694-55-3

    1-甲基-1,2,3,6-四氢吡啶

  • 64-18-6

    Formic acid

  • +

  • 590-29-4

    甲酸钾

  • +

  • 2350-76-7

    甲基溴化吡啶

  • →

  • 694-55-3

    1-甲基-1,2,3,6-四氢吡啶

  • +

  • 626-67-5

    N-甲基哌啶

  • 64-18-6

    Formic acid

  • +

  • 590-29-4

    甲酸钾

  • +

  • 445-30-7

    N-甲-2-吡啶甲酸

  • →

  • 694-55-3

    1-甲基-1,2,3,6-四氢吡啶

  • +

  • 626-67-5

    N-甲基哌啶

MSDS 展开↓

Name: 1-Methyl-1 2 3 6-tetrahydropyridine hydro- chloride 98% Material Safety Data Sheet
Synonym:
CAS: 694-55-3
Section 1 - Chemical Product   MSDS Name:1-Methyl-1 2 3 6-tetrahydropyridine hydro- chloride 98% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
694-55-3 1-methyl-1,2,3,6-tetrahydropyridine hy 98 211-773-0
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:
Dust may cause mechanical irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause digestive tract disturbances. 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 immediately.
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:
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 immediately.
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed 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. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation. Use with adequate ventilation.
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.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 694-55-3: 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: Powder
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 198.00 - 200.00 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:
Specific Gravity/Density:
Molecular Formula: C6H11N.HCl
Molecular Weight: 133.62
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# 694-55-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-methyl-1,2,3,6-tetrahydropyridine hydro- chloride, 98% - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 694-55-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 694-55-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 694-55-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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
摘要/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%

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:1

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积3.2

7.重原子数量:7

8.表面电荷:0

9.复杂度:76.2

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

上下游相关产品

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下游产品

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    1-甲基3-哌啶羧醛

  • 931-20-4

    1-甲基-2-哌啶酮

  • 694-05-3

    1,2,3,6-四氢吡啶

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