2,2,6,6-四甲基哌啶氢溴酸盐

2,2,6,6-四甲基哌啶氢溴酸盐 基本信息
CAS号 935-21-7 分子式 C9H20BrN
分子量 222.16600 精确质量  221.07800
PSA  12.03000 LogP  3.60400

基本信息 展开↓

CAS号:
935-21-7
3D弹球模型:
立即前往扯扯看
分子式:
C9H20BrN
分子量:
222.16600
中文名称:
2,2,6,6-四甲基哌啶氢溴酸盐
英文名称:
2,2,6,6-tetramethylpiperidine,hydrobromide
中文别名:
2,2,6,6-四甲基哌啶氢溴酸盐;
2,2,6,6-四甲基哌啶氢溴酸
英文别名:
2,2,6,6-tetramethylpiperidine,hydrobromide;
TP HBr;
TP hydrobromide;
2,2,6,6-TETRAMETHYL-2H-3,5,6-TRIHYDROPYRAN-4-ONE;
Piperidine,2,2,6,6-tetramethyl-,hydrobromide;
2,2,6,6-tetramethylpiperidinehydrobromide(1:1);
2,2,6,6-Tetramethylpiperidin-Hydrobromid;
2,2,6,6-tetramethylpiperidinium bromide;
2,2,6,6-Tetramethylpiperidine hydrobromide
精确分子量/精确质量:
221.07800
极性分子表面积/PSA:
12.03000
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: LJDYNBCHVRXQSR-UHFFFAOYSA-N

物化性质展开↓

沸点:
157.6ºC at 760 mmHg
闪点:
24.4ºC

安全信息展开↓

海关代码:
2933399090
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

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  • 768-66-1

    2,2,6,6-四甲基哌啶

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  • 935-21-7

    2,2,6,6-四甲基哌啶氢溴酸盐

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TN4220300
CHEMICAL NAME :
Piperidine, 2,2,6,6-tetramethyl-, hydrobromide
CAS REGISTRY NUMBER :
935-21-7
LAST UPDATED :
198706
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H19-N.Br-H
MOLECULAR WEIGHT :
222.21
WISWESSER LINE NOTATION :
T6MTJ B1 B1 F1 F1 &EH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
157 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 31,48,1968
毒理学数据:

1、急性毒性:小鼠经腹腔LD50157mg/kg

MSDS 展开↓

Name: 2 2 6 6-Tetramethylpiperdine Hydrobromide Material Safety Data Sheet
Synonym: None
CAS: 935-21-7
Section 1 - Chemical Product   MSDS Name:2 2 6 6-Tetramethylpiperdine Hydrobromide Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
935-21-7 2,2,6,6-Tetramethylpiperdine Hydrobrom ca 100 unlisted
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:
May cause eye 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 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 agent most appropriate to extinguish fire. 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. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 935-21-7: 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: Not available.
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C9H20NBr
Molecular Weight: 222.0507

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stability unknown.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Not available.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 935-21-7: TN4220300 LD50/LC50:
Not available.
Not available.
Carcinogenicity:
2,2,6,6-Tetramethylpiperdine Hydrobromide - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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 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# 935-21-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 935-21-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 935-21-7 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):无

2.氢键供体数量:1

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12

7.重原子数量:11

8.表面电荷:0

9.复杂度:111

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:2

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