新烟碱

新烟碱 基本信息
CAS号 40774-73-0 分子式 C10H14N2
分子量 162.23200 精确质量  162.11600
PSA  24.92000 LogP  2.22500

等价的CAS号:

494-52-0,13078-04-1,34366-21-7,40774-73-0

基本信息 展开↓

CAS号:
40774-73-0
3D弹球模型:
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分子式:
C10H14N2
分子量:
162.23200
中文名称:
新烟碱
英文名称:
(-)-anabasine
中文别名:
新烟碱;
假木贼碱;
灭虫碱;
毒藜;
阿纳巴辛碱;
八角枫碱;
(±)-假木贼碱;
2-(3-吡啶基)哌啶
英文别名:
(-)-anabasine;
3-(piperidin-2-yl)pyridine;
(+/-)-Anabasine
精确分子量/精确质量:
162.11600
极性分子表面积/PSA:
24.92000
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。
InChI:
The Key: MTXSIJUGVMTTMU-UHFFFAOYSA-N

安全信息展开↓

危险类别码:
23/24/25
安全说明:
36/37/39-45

MSDS 展开↓

Name: L-Anabasine 90% Material Safety Data Sheet
Synonym: Neonicotine2-(3-Pyridyl)piperidin
CAS: 40774-73-0
Section 1 - Chemical Product   MSDS Name:L-Anabasine 90% Material Safety Data Sheet
Synonym:Neonicotine2-(3-Pyridyl)piperidin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
40774-73-0 L-Anabasine 90% unlisted
Hazard Symbols: T
Risk Phrases: 23/24/25

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.Hygroscopic (absorbs moisture from the air).Light sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause skin irritation. Toxic in contact with skin. May cause cyanosis of the extremities.
Ingestion:
Poison by ingestion. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. 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. Toxic if inhaled.
Aspiration may lead to pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
Effects may be delayed.

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 immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Use water spray to keep fire-exposed containers cool. Combustible liquid.
Containers may explode when heated.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Use water spray, dry chemical, carbon dioxide, or chemical foam. 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous.
Keep container tightly closed. Keep away from heat, sparks and flame.
Avoid ingestion and inhalation. Store protected from light. Use only in a chemical fume hood. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture. Store protected from light.

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# 40774-73-0: 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: Liquid
Color: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 270 deg C
Freezing/Melting Point: 9 deg C
Autoignition Temperature: Not available.
Flash Point: 93 deg C ( 199.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 300 deg C
Solubility in water: Soluble.
Specific Gravity/Density: 1.054
Molecular Formula: C10H14N2
Molecular Weight: 162.23

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Moisture sensitive. Light sensitive.
Conditions to Avoid:
Incompatible materials, light, ignition sources, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture, oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 40774-73-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
L-Anabasine - 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: ALKALOIDS, LIQUID, N.O.S.
Hazard Class: 6.1
UN Number: 3140
Packing Group: II
IMO
Shipping Name: ALKALOIDS, LIQUID, N.O.S.
Hazard Class: 6.1
UN Number: 3140
Packing Group: II
RID/ADR
Shipping Name: ALKALOIDS, LIQUID, N.O.S.
Hazard Class: 6.1
UN Number: 3140
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 40774-73-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 40774-73-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 40774-73-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


1、  摩尔折射率:48.94

2、  摩尔体积(m3/mol):159.8

3、  等张比容(90.2K):400.5

4、  表面张力(dyne/cm):39.3

5、  极化率:19.40

6、  介电常数:未确定

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