四甲基胍

四甲基胍 基本信息
CAS号 80-70-6 分子式 C5H13N3
分子量 115.18 精确质量  115.11095
PSA  30.3 A2 LogP  -0.290±0.197

基本信息 展开↓

CAS号:
80-70-6
3D弹球模型:
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分子式:
C5H13N3
分子量:
115.18
中文名称:
四甲基胍
英文名称:
Guanidine, N,N,N',N'-tetramethyl-
中文别名:
四甲基胍;
-四甲基胍;
N,N,N',N'-四甲基胍
英文别名:
Guanidine, N,N,N',N'-tetramethyl-;
Tetramethylguanidine;
N,N,N',N'-TETRAMETHYLGUANIDINE;
1,1,3,3-Tetramethylguayyniaine;
1,1,3,3-tetramethylgaunidine;
1,1,3,3-TMG;
TMG;
N,N,N,N-Tetramethy1 Guanidine;
1,1,3,3-Tetramethylguanidin;
1,1,3,3-tetramethyl-guanidine;
TETRAMETHYL GUANIDINE
精确分子量/精确质量:
115.11095
极性分子表面积/PSA:
30.3 A2
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:
MFCD000083
EINECS:
201-302-7
PubChem:
24854327
BRN:
969608
InChI:
InChI=1/C5H13N3/c1-7(2)5(6)8(3)4/h6H,1-4H3

生产制备方法及用途展开↓

制备方法


主要用作聚氨基甲酸乙酯泡沫的催化剂,也用于锦纶(尼龙)、羊毛及其他蛋白质的均染

用途简介


物化性质展开↓

外观与性状:
透明液体
密度:
0.90±0.1 g/cm3
熔点:
-30 °C
沸点:
163.2±9.0 °C
闪点:
60.0±0.0 °C
水溶解性:
Very Soluble (147 g/L)
折射率:
n20/D 1.469
蒸汽密度:
2.09 Torr
存储条件/存储方法:

其它信息:

1.      性状:无色透明液体。

2.      密度(g/mL,25/4℃):0.915

3.      相对蒸汽密度(g/mL,空气=1):不确定

4.      熔点(ºC):不确定

5.      沸点(ºC,常压): 159-160
6.      沸点(ºC,1.46kPa):5254
7.      折射率:1.4690
8.      闪点(ºC):60
9.      比旋光度(º):不确定
10.   自燃点或引燃温度(ºC):不确定

11.   蒸气压(kPa,25ºC):不确定

12.   饱和蒸气压(kPa,60ºC):不确定

13.   燃烧热(KJ/mol):不确定

14.   临界温度(ºC):不确定

15.   临界压力(KPa):不确定

16.   油水(辛醇/水)分配系数的对数值:不确定

17.   爆炸上限(%,V/V):不确定

18.   爆炸下限(%,V/V):不确定

19.   溶解性:溶于水和有机溶剂。

安全信息展开↓

包装等级:
II
风险类别:
8
海关代码:
2942000000
WGK_Germany:
1
德国有关水污染物质的分类清单
危险类别码:
R10;R20/22;R34
安全说明:
S26-S27-S36/37/39-S45-S16
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。
S27:立刻除去所有污染衣物。
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;

合成路线查看所有的合成路线

  • 506-78-5

    碘化氰

  • +

  • 124-40-3

    二甲胺

  • 80-70-6

    四甲基胍

  • 124-40-3

    二甲胺

  • 80-70-6

    四甲基胍

  • 325774-15-0

    1,1,3,3-tetramethylgyanidine-gallane (1/1)

  • 7440-55-3

    4,6-二硝基-2-仲丁基苯酚乙醇胺盐

  • +

  • 1333-74-0

    氢气

化学图谱

  1. 1,1,3,3-四甲基胍红外图谱(IR1)

  2. 1,1,3,3-四甲基胍质谱(MS)

  3. 1,1,3,3-四甲基胍Raman光谱

  4. 1,1,3,3-四甲基胍核磁图(13CNMR)

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MSDS 展开↓

Name: 1 1 3 3-Tetramethylguanidine 99% (gc) Material Safety Data Sheet
Synonym: Non
CAS: 80-70-6
Section 1 - Chemical Product   MSDS Name:1 1 3 3-Tetramethylguanidine 99% (gc) Material Safety Data Sheet
Synonym:Non

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
80-70-6 1,1,3,3-Tetramethylguanidine 99% 201-302-7
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Corrosive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract. Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema.
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.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
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 as a caustic agent.

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. Will burn if involved in a fire.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

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.

Section 7 - HANDLING and STORAGE
  Handling:
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. Use only in a chemical fume hood.
Storage:
Keep away from sources of ignition. Store in a cool, dry place.
Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 80-70-6: Personal Protective Equipment Eyes: Wear chemical goggles and a face shield if splashing is possible.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
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: Not available.
Odor: Mild ammoniacal odor
pH: Not available.
Vapor Pressure: .26 hPa @ 25 deg C
Viscosity: mPas 20 deg C
Boiling Point: 160 - 162 deg C @ 760.00mm Hg
Freezing/Melting Point: <-30 deg C
Autoignition Temperature: 350 deg C ( 662.00 deg F)
Flash Point: 60 deg C ( 140.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: miscible with water
Specific Gravity/Density: .9180g/cm3
Molecular Formula: C5H13N3
Molecular Weight: 115.18

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, ignition sources.
Incompatibilities with Other Materials:
Strong oxidizing agents - strong acids - acid chlorides - acid anhydrides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 80-70-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,1,3,3-Tetramethylguanidine - 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: CORROSIVE LIQUID, FLAMMABLE, N.O.S.*
Hazard Class: 8 (3)
UN Number: 2920
Packing Group: II
IMO
Shipping Name: CORROSIVE LIQUID, FLAMMABLE, N.O.S.
Hazard Class: 8 (3)
UN Number: 2920
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, FLAMMABLE, N.O.S.
Hazard Class: 8
UN Number: 2920
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
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# 80-70-6: 2
Canada
CAS# 80-70-6 is listed on Canada's DSL List.
CAS# 80-70-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 80-70-6 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↓

分子结构数据


1、  摩尔折射率:34.66

2、  摩尔体积(m3/mol):127.5

3、  等张比容(90.2K):292.7

4、  表面张力(dyne/cm):27.7

5、  极化率10-24cm3):13.74

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:2

5.互变异构体数量:无

6.拓扑分子极性表面积30.3

7.重原子数量:8

8.表面电荷:0

9.复杂度:75.7

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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