二甲氨基三氟化硫

二甲氨基三氟化硫 基本信息
CAS号 3880-03-3 分子式 C2H6F3NS
分子量 133.13600 精确质量  133.01700
PSA  28.54000 LogP  1.92110

基本信息 展开↓

CAS号:
3880-03-3
3D弹球模型:
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分子式:
C2H6F3NS
分子量:
133.13600
中文名称:
二甲氨基三氟化硫
英文名称:
DIMETHYLAMINOSULFUR TRIFLUORIDE
中文别名:
二甲氨基三氟化硫;
甲基 DAST;
二甲基三氟硫化氨
英文别名:
DIMETHYLAMINOSULFUR TRIFLUORIDE;
N-methyl-N-(trifluoro-λ4-sulfanyl)methanamine
精确分子量/精确质量:
133.01700
极性分子表面积/PSA:
28.54000
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:
MFCD00009900
PubChem:
24854921
BRN:
1901089
InChI:
The Key: SAVQQRYWWAGSQW-UHFFFAOYSA-N

物化性质展开↓

密度:
1.23g/cm3
熔点:
-78.7ºC(lit.)
沸点:
117.5ºC(lit.)
闪点:
10ºC
存储条件/存储方法:

 

稳定性相关:

 

其它信息:

1.      性状:透明液体

2.      密度(g/mL,25℃):1.364

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):-78.7

5.      沸点(ºC,常压):117.5

6.      沸点(ºC,15mmHg):未确定

7.      折射率(n20/D):未确定

8.      闪点(ºC):10

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(mPa,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:与水反应

安全信息展开↓

包装等级:
II
危险类别码:
11-20/21/22-35
安全说明:
26-36/37/39-45
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。
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:
F: Flammable;C: Corrosive;

合成路线查看所有的合成路线

  • 2083-91-2

    N,N-二甲基三甲基硅胺

  • 3880-03-3

    二甲氨基三氟化硫

MSDS 展开↓

Name: Dimethylaminosulfur Trifluoride Material Safety Data Sheet
Synonym: Methyl DAS
CAS: 3880-03-3
Section 1 - Chemical Product   MSDS Name:Dimethylaminosulfur Trifluoride Material Safety Data Sheet
Synonym:Methyl DAS

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3880-03-3 Dimethylaminosulfur Trifluoride ca 100 unlisted
Hazard Symbols: F C
Risk Phrases: 11 14 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Highly flammable. Reacts violently with water. Causes burns.Highly flammable.Water-reactive.Corrosive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract. Vapors may cause dizziness or suffocation.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. 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:
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. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Water Reactive. Material will react with water and may release a flammable and/or toxic gas. Use water spray to keep fire-exposed containers cool. Water may be ineffective.
Material is lighter than water and a fire may be spread by the use of water. Flammable liquid and vapor. Reacts violently with water.
Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. May ignite or explode on contact with steam or moist air. Will be easily ignited by heat, sparks or flame. Containers may explode if exposed to fire.
Extinguishing Media:
Use dry sand or earth to smother fire. If water is the only media available, use in flooding amounts. Use dry chemical to fight fire.
DO NOT USE WATER! Contact professional fire-fighters immediately.
Cool containers with flooding quantities of water until well after fire is out.

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. Scoop up with a nonsparking tool, then place into a suitable container for disposal. Remove all sources of ignition. Use a spark-proof tool.
Provide ventilation. Do not expose spill to water.

Section 7 - HANDLING and STORAGE
  Handling:
Do not allow water to get into the container because of violent reaction. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. 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 away from heat, sparks and flame. Use with adequate ventilation. Do not allow contact with water. Discard contaminated shoes. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Keep from contact with moist air and steam.
Storage:
Keep away from heat and flame. Keep away from sources of ignition.
Store in a tightly closed container. Store in a dry area. Keep away from water. Flammables-area. Keep refrigerated. (Store below 4C/39F.)

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use explosion-proof ventilation equipment. 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# 3880-03-3: 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 minimize contact with skin.
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: Liquid
Color: almost colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 117.5 deg C @ 760.00mm Hg
Freezing/Melting Point: -78.7 deg C
Autoignition Temperature: Not available.
Flash Point: 10 deg C ( 50.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: reacts
Specific Gravity/Density: 1.3640g/cm3
Molecular Formula: C2H6F3NS
Molecular Weight: 133.13

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Combines vigorously or explosively with water.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong acids, strong bases, strong oxidizing agents, strong reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3880-03-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Dimethylaminosulfur Trifluoride - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: FLAMMABLE LIQUID, CORROSIVE, N.O.S.*
Hazard Class: 3 (8)
UN Number: 2924
Packing Group: II
IMO
Shipping Name: FLAMMABLE LIQUID, CORROSIVE, N.O.S.
Hazard Class: 3.2 (8)
UN Number: 2924
Packing Group: II
RID/ADR
Shipping Name: FLAMMABLE LIQUID, CORROSIVE, N.O.S.
Hazard Class: 3 (8)
UN Number: 2924
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 14 Reacts violently with water.
R 34 Causes burns.
Safety Phrases:
S 8 Keep container dry.
S 16 Keep away from sources of ignition - No
smoking.
S 25 Avoid contact with eyes.
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# 3880-03-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3880-03-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3880-03-3 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↓

分子结构数据


1、摩尔折射率:23

2、摩尔体积(cm3/mol):107.7

3、等张比容(90.2K):220.9

4、表面张力(dyne/cm):17.6

5、介电常数:无可用的

6、极化率(10-24cm3):9.11

7、单一同位素质量:133.017304Da

8、标称质量:133Da

9、平均质量:133.1359Da

计算化学数据


1、   疏水参数计算参考值(XlogP):2.8

2、   氢键供体数量:0

3、   氢键受体数量:4

4、   可旋转化学键数量:0

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):3.2

7、   重原子数量:7

8、   表面电荷:0

9、   复杂度:58.4

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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