80-70-6 (四甲基胍,1,1,3,3-Tetramethylguanidine)

CAS号:
80-70-6
中文名称:
四甲基胍
英文名称:
1,1,3,3-Tetramethylguanidine
安全信息:
分子式:
C5H13N3
分子量:
115.176820516586
简介:

四甲基胍,简称TMG,是一种强的有机碱催化剂,在工业上有较广泛的用途,主要用于合成新型抗生素头孢类药品的助溶剂;也可用作聚氨基甲酸乙酯泡沫的催化剂;还可用于锦纶(尼龙)、羊毛及其他蛋白质的均染,以改善其耐用性等。

四甲基胍(80-70-6)名称与标识符

名称

中文别名:
四甲基胍;N,N,N,N-四甲基胍;N,N,N’,N’-四甲基胍;N,N,N",N"-四甲基胍;1,1,3,3-四甲基胍;四甲基胍 (TMG);1,1,3,3-Tetramethylguanidine 1,1,3,3-四甲基胍;四甲基胍,Tetramethylguanidine;1,1,3,3-四甲基脲;四甲苯尿素;四甲基胍 1,1,3,3-四甲基胍;四甲基脲;N,N,N',N'-四甲基胍;
英文别名:
1,1,3,3-Tetramethylguanidine;N,N,N',N'-tetramethyl-guanidine;N,N'-tetramethylguanidine;Tetramethylguanidine;TMG;1,1,3,3-Tetermethyl Guanidine;1,1,3,3-Tetramethylg;1,1,3,3-tetramethylgaunidine;1,1,3,3-Tetramethylguanidin;1,1,3,3-tetramethyl-guanidine;1,1,3,3-Tetramethylguayyniaine;1,1,3,3-TMG;N,N,N,N-Tetramethy1 Guanidine;N,N,N',N'-TETRAMETHYLGUANIDINE;TeMur;TetraMethylurea;TMU;Guanidine, N,N,N',N'-tetramethyl-;tetramethyl guanidine;VEZ101E7ZU;1,1,3,3-TETRAMETHYL GUANIDINE;N,N-1,1,3,3-TETRAMETHYLGUANIDINE;KYVBNYUBXIEUFW-UHFFFAOYSA-N;Guanidine, 1,1,3,3-tetramethyl-;tetramethyguanidine;Tetramethlguanidine;tetramethyl-guanidine;NSC-148309;1,1,3,3,-tetramethylguanidine;Guanidine,N,N',N'-tetramethyl-;DTXSID2058835;n,n,n,n-tetramethylguanidine;BCP25863;W-104226;1,1,3,3-tetra-methylguanidine;InChI=1/C5H13N3/c1-7(2)5(6)8(3)4/h6H,1-4H;AI3-51030;Guanidine, 1,1,3,3-tetramethyl- (6CI,8CI); N,N,N',N'-Tetramethylguanidine; N1,N1,N3,N3-Tetramethylguanidine; NSC 148309; PC-CAT TMG; Tetramethylguanidine;Guanidine,1,3,3-tetramethyl-;1,3,3-Tetramethylguanidine;SCHEMBL35686;EN300-31847;STL146626;80-70-6;CS-0015318;NSC 148309;NSC148309;1,1,3,3 tetramethyl guanidine;CCRIS 6689;MFCD00008323;N,N',N'-Tetramethylguanidine;F0001-2088;STR04857;EINECS 201-302-7;T0148;N,N,N',N'-Tetramethylguanidine, Lonza quality, >=99.0% (GC);UNII-VEZ101E7ZU;Q4545643;(Me2N)2C=NH;AKOS005169836;1,1,3,3-Tetramethylguanidine, 99%;C5H13N3;1,1,3,3-TETRAMETHYLGUANIDINE [MI];BBL027708;FT-0606006;1, 1,3,3-tetramethylguanidine;NS00019629;Guanidine, 1,1,3,3-tetramethyl- (6CI, 8CI);N,N,N′,N′-Tetramethylguanidine (ACI);N1,N1,N3,N3-Tetramethylguanidine;PC-CAT TMG;Polycat 201;DTXCID7048168;Guanidine, 1,1,3,3tetramethyl (8CI);Guanidine, 1,1,3,3tetramethyl;N,N,N',N'Tetramethylguanidine;Guanidine, 1,1,3,3-tetramethyl-(8CI);Guanidine, N,N,N',N'tetramethyl;

标识符

MDL:
MFCD00008323
InChIKey:
KYVBNYUBXIEUFW-UHFFFAOYSA-N
Inchi:
1S/C5H13N3/c1-7(2)5(6)8(3)4/h6H,1-4H3
SMILES:
N=C(N(C)C)N(C)C
BRN:
969608

四甲基胍(80-70-6)物化性质

实验特性

  • LogP : 0.14410
  • PSA : 30.33000
  • 折射率 : n20/D 1.469(lit.)
  • 水溶性 : miscible
  • 沸点 : 163°C
  • 熔点 : -30 ºC
  • 蒸气压 : 0.2 mmHg ( 20 °C)
  • 闪点 : 华氏:140 °F
    摄氏:60 °C
  • 颜色与性状 : 无色透明液体。
  • PH值 : 12.7 (10g/l, H2O, 25℃)
  • 稳定性 : Stable. Combustible. Incompatible with strong oxidizing agents, mineral and organic acids, carbon dioxide. Air-sensitive.
  • 溶解性 : 溶于水和有机溶剂。
  • 敏感性 : Air Sensitive
  • 密度 : 0.918 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 115.11100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 2
  • 同位素质量 : 115.111
  • 重原子数量 : 8
  • 复杂度 : 75.7
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.4
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 30.3

四甲基胍(80-70-6)安全信息

四甲基胍(80-70-6)国际标准相关数据

EINECS:
6689

四甲基胍(80-70-6)海关数据

海关编码:
2942000000
海关数据:

中国海关编码:

2925290090

概述:

2925290090 其他亚胺及其衍生物,以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

四甲基胍(80-70-6)推荐厂家 更多厂家(145)

四甲基胍(80-70-6)合成路线

合成路线:1 步
反应条件:
参考文献:
Guanidine/Pd(OAc)2-Catalyzed Room Temperature Suzuki Cross-Coupling Reaction in Aqueous Media under Aerobic Conditions
Li, Shenghai; et al, Journal of Organic Chemistry, 2007, 72(11), 4067-4072

四甲基胍(80-70-6)谱图信息

1H NMR300 MHzDMSO
1H NMR
13C NMR
13C NMR

四甲基胍(80-70-6)上下游

四甲基胍(80-70-6)相关文献

四甲基胍(80-70-6)参考资料

Reaxys RN:
969608
Beilstein:
969608
PubChem CID:

四甲基胍(80-70-6) MSDS

基础信息

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 NamecontentEINECS#
80-70-61,1,3,3-Tetramethylguanidine99%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