叔丁基二甲胺

叔丁基二甲胺 基本信息
CAS号 918-02-5 分子式 C6H15N
分子量 101.19000 精确质量  101.12000
PSA  3.24000 LogP  1.34650

基本信息 展开↓

CAS号:
918-02-5
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分子式:
C6H15N
分子量:
101.19000
中文名称:
叔丁基二甲胺
英文名称:
N,N-DIMETHYL-TERT-BUTYLAMINE
中文别名:
叔丁基二甲胺;
叔丁基二甲基胺
英文别名:
N,N-DIMETHYL-TERT-BUTYLAMINE;
n,n,2-trimethyl-2-propanamin;
TERT-BUTYLDIMETHYLAMINE;
N,N,2-Trimethyl-2-propanamine;
tert-butoxy-bis(dimethylamino)methane;
N,N-Dimethyl-t-butylamine;
t-C4H9N(CH3)2;
2-Propanamine,N,N,2-trimethyl;
Dimethyl-tert-butylamine;
1,1,N,N-Tetramethylethanamine
精确分子量/精确质量:
101.12000
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。
InChI:
InChI=1/C6H15N/c1-6(2,3)7(4)5/h1-5H3/p+1

物化性质展开↓

密度:
0.75g/cm3
熔点:
-90ºC
沸点:
89.6-89.9ºC (740 mmHg)
折射率:
1.4065-1.4085
存储条件/存储方法:

密封贮藏,储存在阴凉、干燥的地方,远离热源,火源,火焰;远离易燃易爆区。

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:无色透明液体

2.      密度(g/mL,25):0.739

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):-90

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,740mmHg):89.6-89.9

7.      折射率(n20/D)1.4065-1.4085

8.      闪点(ºC):-5

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,55ºC):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↓

危险类别码:
R34
安全说明:
45-36/37/39-26-16
安全标志:
S16:远离火源。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
C: Corrosive;

MSDS 展开↓

Name: tert-Butyldimethylamine 98% Material Safety Data Sheet
Synonym: N,N-Dimethyl-tert-butylamin
CAS: 918-02-5
Section 1 - Chemical Product   MSDS Name:tert-Butyldimethylamine 98% Material Safety Data Sheet
Synonym:N,N-Dimethyl-tert-butylamin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
918-02-5 tert-Butyldimethylamine 98% unlisted
Hazard Symbols: F C
Risk Phrases: 11 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Highly flammable. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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 immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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. Vapors can travel to a source of ignition and flash back. Will burn if involved in a fire. Flammable liquid and vapor.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide. Water may be ineffective.

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. Remove all sources of ignition.
Use a spark-proof tool.

Section 7 - HANDLING and STORAGE
  Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-area.

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# 918-02-5: Personal Protective Equipment Eyes: Not available.
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: Clear liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 89.6 - 89.9 deg C @740mmHg
Freezing/Melting Point: -90 deg C
Autoignition Temperature: Not available.
Flash Point: -5 deg C ( 23.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 0.739
Molecular Formula: C6H15N
Molecular Weight: 101.19

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:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 918-02-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
tert-Butyldimethylamine - 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: AMINES, FLAMMABLE, CORROSIVE, N.O.S.*
Hazard Class: 3 (8)
UN Number: 2733
Packing Group: II
IMO
Shipping Name: AMINES, FLAMMABLE, CORROSIVE, N.O.S.
Hazard Class: 3 (8)
UN Number: 2733
Packing Group: II
RID/ADR
Shipping Name: AMINES, FLAMMABLE, CORROSIVE, N.O.S.
Hazard Class: 3 (8)
UN Number: 2733
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: F C
Risk Phrases:
R 11 Highly flammable.
R 34 Causes burns.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
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# 918-02-5: No information available.
Canada
CAS# 918-02-5 is listed on Canada's NDSL List.
CAS# 918-02-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 918-02-5 is listed on the TSCA inventory.


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.疏水参数计算参考值(XlogP):1.2

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:1

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:49.7

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

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