四甲基邻苯二甲酸氢铵 | 79723-02-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 四甲基邻苯二甲酸氢铵
• 英文名称: monotetramethylammonium hydrogen phthalate
• 英文别名: tetramethylammonium hydrogen phthalate；tetramethylammonium hydrogenphthalate；mono-tetramethylammonium phthalate；2-carboxybenzoate;tetramethylazanium
• CAS: 79723-02-7
• 化学式: C₄H₁₂N*C₈H₅O₄
• 分子量: 239.271
• InChiKey: KQTFRASJMFIJPC-UHFFFAOYSA-M

物化性质

• 熔点：
  148-150 °C(lit.)
• 沸点：
  193℃[at 101 325 Pa]
• 密度：
  1.26[at 20℃]
• LogP：
  -1.24 at 22.5℃
• 稳定性/保质期：
  远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  0.07
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  77.43
• 氢给体数：
  1.0
• 氢受体数：
  3.0

安全信息

• TSCA：
  Yes
• 危险等级：
  6.1
• 危险品标志：
  T,N
• 安全说明：
  S25,S36,S45,S61
• 危险类别码：
  R50,R48/22,R25
• 海关编码：
  2923900090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险品运输编号：
  UN 2811 6.1/PG 3

SDS

---

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Tetramethylammonium hydrogenphthalate
CAS-No. : 79723-02-7
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

---

Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Specific target organ toxicity - repeated exposure (Category 2)
Acute aquatic toxicity (Category 1)
Acute toxicity, Oral (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Very toxic to aquatic organisms. Toxic if swallowed. Harmful: danger of serious damage to health by
prolonged exposure if swallowed.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
H373 May cause damage to organs through prolonged or repeated exposure.
H400 Very toxic to aquatic life.
H301 Toxic if swallowed.
Precautionary statement(s)
P273 Avoid release to the environment.
P301 + P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R25 Toxic if swallowed.
R48/22 Harmful: danger of serious damage to health by prolonged exposure if
swallowed.
R50 Very toxic to aquatic organisms.
S-phrase(s)
S25 Avoid contact with eyes.
S36 Wear suitable protective clothing.
S45 In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
S61 Avoid release to the environment. Refer to special instructions/ Safety
data sheets.
Other hazards - none

---

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms : Phthalic acid mono(tetramethylammonium)salt
Tetramethylammonium phthalatemonobasic
Formula : C12H17NO4
Molecular Weight : 239,27 g/mol
Component Concentration
Tetramethylammonium hydrogenphthalate
CAS-No. 79723-02-7 -
EC-No. 416-900-5
Index-No. 607-478-00-5

---

Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

---

Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

---

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate
ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

---

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

---

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N99 (US) or type P2 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
respirators and components tested and approved under appropriate government standards such
as NIOSH (US) or CEN (EU).

---

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: crystalline
Colour: white
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 148 - 150 °C - lit.
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

---

Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

---

Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion Toxic if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

---

Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
Very toxic to aquatic life.
Avoid release to the environment.

---

Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

---

Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: 2811 IMDG: 2811 IATA: 2811
UN proper shipping name
ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (Tetramethylammonium hydrogenphthalate)
IMDG: TOXIC SOLID, ORGANIC, N.O.S. (Tetramethylammonium hydrogenphthalate)
IATA: Toxic solid, organic, n.o.s. (Tetramethylammonium hydrogenphthalate)
Transport hazard class(es)
ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1
Packaging group
ADR/RID: III IMDG: III IATA: III
Environmental hazards
ADR/RID: yes IMDG Marine pollutant: yes IATA: no
Special precautions for user
no data available

---

---

SECTION 15 - REGULATORY INFORMATION
N/A

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为产物：
  描述：

  苯酐 、 四甲基氟化铵 以 乙腈 为溶剂， 生成 四甲基邻苯二甲酸氢铵
  参考文献：
  名称：

  碱度对使用四甲基铵盐的氟脱氮反应的影响

  摘要：

  已经发现几种硝基芳族化合物与四甲基铵盐的氟脱硝反应取决于氟化物质的碱性。四甲基氟化铵是高度碱性的，能够诱导1,3-二硝基苯中的HD交换，并能使N，N-二甲基乙酰胺去质子化。氟化物与邻苯二甲酸酐的反应原位形成了氟化氢。四甲基四氟化铵可提供更高的所需氟代芳族化合物收率，但反应速度却比相应的氟化物慢。

  DOI：

  10.1016/s0040-4020(99)00409-3

文献信息

• Process for producing quaternary salts
  申请人：Mitsubishi Petrochemical Co., Ltd.

  公开号：US04892944A1

  公开（公告）日：1990-01-09

  A process for producing quaternary salts of high purity is disclosed, comprising reacting a tertiary amine or phosphine with a carbonic acid diester to form a corresponding quaternary carbonate and further mixing it with an acid to perform decarboxylation. The quaternary salts thus obtained are useful compounds which can be used in wide fields as various catalysts, electrolytes, additives, medicaments, etc.

  揭示了一种生产高纯度季铵盐的方法，包括将三级胺或膦与碳酸二酯反应，形成相应的季碳酸盐，然后将其与酸混合进行脱羧反应。因此获得的季铵盐是一种有用的化合物，可在各种领域中用作各种催化剂、电解质、添加剂、药物等。
• BARRY, J. E.;FINKELSTEIN, M.;ROSS, S. D., J. ORG. CHEM., 1982, 47, N 1, 64-68
  作者：BARRY, J. E.、FINKELSTEIN, M.、ROSS, S. D.

  DOI：——

  日期：——
• LIQUID ELECTROLYTE FOR AN ELECTROCHEMICAL CELL
  申请人：Merritt R. Donald

  公开号：US20070275284A1

  公开（公告）日：2007-11-29

  A liquid electrolyte for use in an electrochemical cell having an alkali metal anode is provided. The liquid electrolyte comprises an additive formed of at least one selected from the group comprising: a tautomer; an alcohol having the formula R—OH, where R is one selected from the group comprising an unsaturated carbon chain having at least two carbon atoms, a saturated carbon chain having at least one carbon atom, and an aromatic carbon chain; a sugar; and an acid selected from the group comprising nitric acid, sulfuric acid and sulfuric acid partially substituted with an ion of said alkali metal material.
• CLEANING COMPOSITION AND METHOD OF MANUFACTURING METAL WIRING USING THE SAME
  申请人：Samsung Display Co., Ltd.

  公开号：US20150136728A1

  公开（公告）日：2015-05-21

  A cleaning composition includes about 0.01 to about 5 wt % of a chelating agent; about 0.01 to about 0.5 wt % of an organic acid; about 0.01 to about 1.0 wt % of an inorganic acid; about 0.01 to about 5 wt % of an alkali compound; and deionized water.
• US4892944A
  申请人：——

  公开号：US4892944A

  公开（公告）日：1990-01-09