tetramethylammonium peroxynitrite | 157167-78-7

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: tetramethylammonium peroxynitrite
• 英文别名: tetramethylammonium oxoperoxonitrate；oxido nitrite;tetramethylazanium
• CAS: 157167-78-7
• 化学式: C₄H₁₂N*NO₃
• 分子量: 136.151
• InChiKey: VEDGICDSTZIIKX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.72
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  61.7
• 氢给体数：
  0
• 氢受体数：
  4

SDS

Date Updated: 11/FEB/2006
Version 1.2
Regulation (EC) No 1907/2006
________________________________________________________________________
1 - Product and Company Information
________________________________________________________________________

Product NameTETRAMETHYLAMMONIUM PEROXYNITRITE
Product NumberT4560
Company
Century Ba-Shi Building 22A-B,
200020 Shanghai
Technical Phone #[phone]
Fax [phone]
E-mail Address
________________________________________________________________________
2 - Hazards Identification
________________________________________________________________________
________________________________________________________________________
3 - Composition/Information on Ingredients
________________________________________________________________________
Product NameCAS #EC noAnnex I
Index Number
TETRAMETHYLAMMONIUM PEROXYNITRITE 157167-78-7 NoneNone
FormulaC4H12N2O3
Molecular Weight 136,2000 AMU
________________________________________________________________________
4 - First Aid Measures
________________________________________________________________________
AFTER INHALATION
If inhaled, remove to fresh air. If not breathing give
artificial respiration. If breathing is difficult, give oxygen.
AFTER SKIN CONTACT
In case of contact, immediately wash skin with soap and copious
amounts of water.
AFTER EYE CONTACT
In case of contact, immediately flush eyes with copious amounts
of water for at least 15 minutes.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.
________________________________________________________________________
5 - Fire Fighting Measures
________________________________________________________________________
EXTINGUISHING MEDIA
Suitable: Water spray. Carbon dioxide, dry chemical powder, or
appropriate foam.
SPECIAL RISKS
Specific Hazard(s): Emits toxic fumes under fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.
________________________________________________________________________
6 - Accidental Release Measures
________________________________________________________________________
PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear respirator, chemical safety goggles, rubber boots, and
heavy rubber gloves.
METHODS FOR CLEANING UP
Sweep up, place in a bag and hold for waste disposal. Avoid
raising dust. Ventilate area and wash spill site after material
pickup is complete.
________________________________________________________________________
7 - Handling and Storage
________________________________________________________________________
HANDLING
Directions for Safe Handling: Avoid inhalation. Avoid contact
with eyes, skin, and clothing. Avoid prolonged or repeated
exposure.
STORAGE
Conditions of Storage: Keep tightly closed. Store in a cool dry
place.
Store at -20°C
________________________________________________________________________
8 - Exposure Controls / Personal Protection
________________________________________________________________________
ENGINEERING CONTROLS
Safety shower and eye bath. Mechanical exhaust required.
GENERAL HYGIENE MEASURES
Wash thoroughly after handling. Wash contaminated clothing before
reuse.
PERSONAL PROTECTIVE EQUIPMENT
Respiratory Protection: Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US)
or CEN (EU). Respiratory protection is not required. Where
protection from nuisance levels of dusts are desired, use type N95
(US) or type P1 (EN 143) dust masks.
Hand Protection: Compatible chemical-resistant gloves.
Eye Protection: Chemical safety goggles.
________________________________________________________________________
9 - Physical and Chemical Properties
________________________________________________________________________
AppearancePhysical State: Solid
PropertyValueAt Temperature or Pressure
pHN/A
BP/BP RangeN/A
MP/MP RangeN/A
Flash PointN/A
FlammabilityN/A
Autoignition TempN/A
Oxidizing PropertiesN/A
Explosive Properties N/A
Explosion LimitsN/A
Vapor PressureN/A
Partition Coefficient N/A
ViscosityN/A
Vapor DensityN/A
Saturated Vapor Conc. N/A
Evaporation RateN/A
Bulk DensityN/A
Decomposition Temp.N/A
Solvent ContentN/A
Water ContentN/A
Surface TensionN/A
ConductivityN/A
Miscellaneous DataN/A
SolubilityN/A
________________________________________________________________________
10 - Stability and Reactivity
________________________________________________________________________
STABILITY
Stable: Stable.
Conditions of Instability: Moisture.
Conditions to Avoid: Moisture.
Materials to Avoid: Strong oxidizing agents.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
Nitrogen oxides, Ammonia.
HAZARDOUS POLYMERIZATION
Hazardous Polymerization: Will not occur
________________________________________________________________________
11 - Toxicological Information
________________________________________________________________________
SIGNS AND SYMPTOMS OF EXPOSURE
To the best of our knowledge, the chemical, physical, and
toxicological properties have not been thoroughly investigated.
ROUTE OF EXPOSURE
Skin Contact: May cause skin irritation.
Eye Contact: May cause eye irritation.
Inhalation: Material may be irritating to mucous membranes and
upper respiratory tract.
Multiple Routes: May be harmful by inhalation, ingestion, or
skin absorption.
________________________________________________________________________
12 - Ecological Information
________________________________________________________________________
No data available.
________________________________________________________________________
13 - Disposal Considerations
________________________________________________________________________
SUBSTANCE DISPOSAL
Dissolve or mix the material with a combustible solvent and burn
in a chemical incinerator equipped with an afterburner and
scrubber. Observe all federal, state, and local environmental
regulations.
________________________________________________________________________
14 - Transport Information
________________________________________________________________________
RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
IATA
Non-hazardous for air transport.
________________________________________________________________________
15 - Regulatory Information
________________________________________________________________________
Caution: Substance not yet fully tested (EU).
COUNTRY SPECIFIC INFORMATION
Germany
WGK: 3
Self-Classification
________________________________________________________________________
16 - Other Information
________________________________________________________________________
WARRANTY
The above information is believed to be correct but does not
purport to be all inclusive and shall be used only as a guide. The
information in this document is based on the present state of our
knowledge and is applicable to the product with regard to
appropriate safety precautions. It does not represent any
shall not be held liable for any damage resulting from handling or
from contact with the above product. See reverse side of invoice
or packing slip for additional terms and conditions of sale.
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.

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模块 15 - 法规信息
N/A

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模块16 - 其他信息
N/A

反应信息

• 作为反应物：
  描述：

  tetramethylammonium peroxynitrite 以 氢氧化钾 为溶剂， 生成 tetramethylammonium nitrite
  参考文献：
  名称：

  Preventing Nitrite Contamination in Tetramethylammonium Peroxynitrite Solutions

  摘要：

  Peroxynitrite prepared from superoxide and nitric oxide in liquid ammonia does not contain detectable levels of nitrite. However, the dissolution of nitrite salts can lead to variable levels of peroxynitrite depending on the conditions used to disolve the salt. Low levels of nitrite result when frozen peroxynitrite solutions are first brought to +1 degreesC and then to room temperature. These undergo only 2-3% decomposition after 1 h, in contrast with the findings of a recent report (Lymar, S. V.; Khairutdinov, R. F.; Hurst, J.K. Inorg. Chem. 2003, 42, 5259-5266), where high levels of nitrite (similar to20%) result from rapid thawing of these solutions to room temperature. Warming the frozen peroxynitrite solution directly to room temperature in 30 min leads to a nitrite level of 28%.

  DOI：

  10.1021/ic049161k
• 作为产物：
  描述：

  氧化亚氮 、 Tetramethylammoniumsuperoxid 以 氨 为溶剂， 以0%的产率得到tetramethylammonium nitrite
  参考文献：
  名称：

  Preventing Nitrite Contamination in Tetramethylammonium Peroxynitrite Solutions

  摘要：

  Peroxynitrite prepared from superoxide and nitric oxide in liquid ammonia does not contain detectable levels of nitrite. However, the dissolution of nitrite salts can lead to variable levels of peroxynitrite depending on the conditions used to disolve the salt. Low levels of nitrite result when frozen peroxynitrite solutions are first brought to +1 degreesC and then to room temperature. These undergo only 2-3% decomposition after 1 h, in contrast with the findings of a recent report (Lymar, S. V.; Khairutdinov, R. F.; Hurst, J.K. Inorg. Chem. 2003, 42, 5259-5266), where high levels of nitrite (similar to20%) result from rapid thawing of these solutions to room temperature. Warming the frozen peroxynitrite solution directly to room temperature in 30 min leads to a nitrite level of 28%.

  DOI：

  10.1021/ic049161k

文献信息

• Direct evidence of singlet molecular oxygen generation from peroxynitrate, a decomposition product of peroxynitrite
  作者：Sayuri Miyamoto、Graziella E. Ronsein、Thaís C. Corrêa、Glaucia R. Martinez、Marisa H. G. Medeiros、Paolo Di Mascio

  DOI：10.1039/b905560f

  日期：——

  The decomposition of peroxynitrite to nitrite and dioxygen at neutral pH follows complex kinetics, compared to its isomerization to nitrate at low pH. Decomposition may involve radicals or proceed by way of the classical peracid decomposition mechanism. Peroxynitrite (ONOOH/ONOO(-)) decomposition has been proposed to involve formation of peroxynitrate (O(2)NOOH/O(2)NOO(-)) at neutral pH (D. Gupta,

  与在低pH下异构化为硝酸盐相比，在中性pH下过氧化亚硝酸盐分解为亚硝酸盐和双氧具有复杂的动力学。分解可能涉及自由基或通过经典的过酸分解机理进行。已提出过氧亚硝酸盐（ONOOH / ONOO（-））分解涉及在中性pH值下形成过氧硝酸盐（O（2）NOOH / O（2）NOO（-））（D. Gupta，B.Harish，R.Kissner和WH Koppenol，Dalton Trans。，2009，DOI：10.1039 / b905535e，请参阅本期随附的论文）。过氧硝酸盐不稳定并分解为亚硝酸盐和双氧。这项研究旨在调查是否ONOOH / ONOO（-）分解形成O（2）NOO（-）生成单线态分子氧[O（2）（（1）Delta（g））]。正如通过在1270 nm处的近红外区域中测量单摩尔发光以及通过化学捕集实验所明确揭示的那样，在中性至碱性pH值下ONOO（-）或O（2）NOOH的分解生成O（2）（（1
• Oxidation of Nitrite by Peroxynitrous Acid
  作者：Patrick Maurer、Chris F. Thomas、Reinhard Kissner、Heinz Rüegger、Oswald Greter、Ursula Röthlisberger、Willem H. Koppenol

  DOI：10.1021/jp0269064

  日期：2003.3.1

  The kinetics of the oxidation of nitrite to nitrate by peroxynitrous acid at pH 5.2 is best described by the rate law kobs = kiso + k‘[NO2-] + k‘ ‘[NO2-]2, in which the peroxynitrous acid isomerization rate constant kiso = (1.10 ± 0.05) s-1, k‘ = (3.2 ± 0.1) M-1 s-1, and k‘ ‘ = (4.2 ± 0.3) M-2s-1, at 25 °C. The ternary reaction may involve initial formation of an adduct between nitrite and peroxynitrite

  过氧亚硝酸在 pH 5.2 下将亚硝酸盐氧化成硝酸盐的动力学最好用速率定律 kobs = kiso + k'[NO2-] + k''[NO2-]2 来描述，其中过氧亚硝酸异构化速率常数kiso = (1.10 ± 0.05) s-1，k' = (3.2 ± 0.1) M-1 s-1，k'' = (4.2 ± 0.3) M-2s-1，25 °C。三元反应可能包括在亚硝酸盐和过氧亚硝酸盐之间最初形成加合物，然后与第二种亚硝酸盐反应形成两种亚硝酸盐和一种硝酸盐。从头算计算表明，HO+ 从过氧亚硝酸到亚硝酸盐的氮原子的净转移只有很小的内在障碍。如观察到的，向亚硝酸盐的两种氧中的任何一种的类似转移产生反应物，并且不会导致过氧亚硝酸消失速率的增加。低速率常数很可能是由于严格的方向限制。正如实验所观察到的，HO+ 向 15NO2- 的正式转移导致 15NO3- 的形成。HO+转移是...
• Decomposition kinetics of peroxynitrite: influence of pH and buffer
  作者：Christian Molina、Reinhard Kissner、Willem H. Koppenol

  DOI：10.1039/c3dt50945a

  日期：——

  The decay of ONOOH near neutral pH has been examined as a function of isomerization to H+ and NO3−, and decomposition to NO2− and O2via O2NOO−. We find that in phosphate buffer kisomerization = 1.11 ± 0.01 s−1 and kdisproportionation = (1.3 ± 0.1) × 103 M−1 s−1 at 25 °C and I = 0.2 M. In the presence of 0.1 M tris(hydroxymethyl)aminomethane (Tris), the decay proceeds more rapidly: kdisproportionation = 9 × 103 M−1 s−1. The measured first half-life of the absorbance of peroxynitrite correlates with [Tris]0·([ONOO−]0 + [ONOOH]0)2, where the subscript 0 indicates initial concentrations; if this function exceeds 6.3 × 10−12 M3, then Tris significantly accelerates the decomposition of peroxynitrite.

  我们研究了在接近中性pH值时ONOOH的衰减，衰减与异构化为H+和NO3−以及通过O2NOO−分解为NO2−和O2有关。我们发现，在25°C和I = 0.2 M时，磷酸盐缓冲液中的异构化速率=1.11±0.01 s−1，歧化速率=（1.3±0.1）×103 M−1 s−1。在0.1 M三（羟甲基）氨基甲烷（Tris）存在下，衰减速度更快：歧化速率=9×103 M−1 s−1。过氧化亚硝酸盐吸收度的测量半衰期与[Tris]0·([ONOO−]0 + [ONOOH]0)2相关，其中下标0表示初始浓度；如果该函数超过6.3
• Preventing Nitrite Contamination in Tetramethylammonium Peroxynitrite Solutions
  作者：Petr Latal、Reinhard Kissner、D. Scott Bohle、Willem H. Koppenol

  DOI：10.1021/ic049161k

  日期：2004.10.1

  Peroxynitrite prepared from superoxide and nitric oxide in liquid ammonia does not contain detectable levels of nitrite. However, the dissolution of nitrite salts can lead to variable levels of peroxynitrite depending on the conditions used to disolve the salt. Low levels of nitrite result when frozen peroxynitrite solutions are first brought to +1 degreesC and then to room temperature. These undergo only 2-3% decomposition after 1 h, in contrast with the findings of a recent report (Lymar, S. V.; Khairutdinov, R. F.; Hurst, J.K. Inorg. Chem. 2003, 42, 5259-5266), where high levels of nitrite (similar to20%) result from rapid thawing of these solutions to room temperature. Warming the frozen peroxynitrite solution directly to room temperature in 30 min leads to a nitrite level of 28%.