2-磺基苯甲酸 | 632-25-7

• 物质功能分类: 化学试剂 - 有机试剂 - 芳香酸
• 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: 2-磺基苯甲酸
• 中文别名: 邻磺基苯甲酸；美洛昔康杂质杂质；2-硫代苯甲酸；2-磺基苯甲酸(三水)
• 英文名称: 2-sulfobenzoic acid
• 英文别名: 2-carboxybenzenesulfonic acid
• CAS: 632-25-7
• 化学式: C₇H₆O₅S
• mdl: MFCD00007479
• 分子量: 202.188
• InChiKey: ZMPRRFPMMJQXPP-UHFFFAOYSA-N

物化性质

• 熔点：
  142 °C
• 密度：
  1.620±0.06 g/cm3(Predicted)
• 溶解度：
  2.47 M
• 稳定性/保质期：
  避免与不相容材料接触，特别是强碱和强氧化剂。

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  100
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R22,R34
• 海关编码：
  2916399090
• 储存条件：
  密封储存，存放在阴凉干燥的库房中，并远离腐蚀性物质。

SDS

Name:	2-Sulfobenzoic acid Material Safety Data Sheet
Synonym:
CAS:	632-25-7

Section 1 - Chemical Product MSDS Name:2-Sulfobenzoic acid Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
632-25-7	2-Sulfobenzoic acid		211-176-5

Hazard Symbols: C
Risk Phrases: 22 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed. Causes burns.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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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 immediately.
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. 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 symptomatically and supportively.

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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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
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:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
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# 632-25-7: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 142 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H6O5S
Molecular Weight: 202.19

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 632-25-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Sulfobenzoic acid - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: II
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 22 Harmful if swallowed.
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
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# 632-25-7: No information available.
Canada
CAS# 632-25-7 is listed on Canada's NDSL List.
CAS# 632-25-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 632-25-7 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-磺基苯甲酸 在 copper(ll) bromide 作用下， 生成 2-溴苯甲酸
  参考文献：
  名称：

  Varma; Parekh; Subramanium, Journal of the Indian Chemical Society, 1939, vol. 16, p. 460

  摘要：

  DOI：
• 作为产物：
  描述：

  糖精 在 硫酸 、 水 作用下， 反应 2.0h， 以85%的产率得到2-磺基苯甲酸
  参考文献：
  名称：

  以糖精为原料合成几种环噻二氮酮和氨基磺酰苯甲酰胺

  摘要：

  糖精用两种不同的酸水解得到 1,2-二酸。二酸与五氯化磷氯化，得到2-氯磺酰苯甲酰氯。2-氯磺酰苯甲酰氯在肼解中得到苯并噻二嗪三酮，而与苯肼一起选择性地得到 2-苯基苯并噻二嗪三酮。2-氯磺酰苯甲酰氯与不同的芳香族 1,2-二胺产生二苯并噻二唑嗪衍生物。二胺中的给电子基团促进，而吸电子基团阻碍环化。然而，脂肪族二胺、苯胺和取代的苯胺在与 2-氯磺酰苯甲酰氯缩合时很容易得到无环氨基磺酰基羧基苯甲酰胺。二酸和酸酐不与肼/苯肼或胺反应得到上述产物。然而，当其酯衍生物，2-氯磺酰基苯甲酸异丙酯与肼缩合时，得到苯并噻二嗪三酮。但酯未能与...反应

  DOI：

  10.1080/17415990903480361
• 作为试剂：
  描述：

  茴香硫醚 在 2-磺基苯甲酸 、 [Ag₂(1,4-bis(pyrazolylmethyl)benzene)₃(2-sulfobenzoic acid)₂] 、 双氧水 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 甲基苯基亚砜 、 苯甲砜
  参考文献：
  名称：

  Diverse silver(i) sulfobenzoate coordination polymers and their recycling property as homogeneous catalyst in oxygenation of sulfide

  摘要：

  用bpmb配体制备了四种银磺酸苯酚配位聚合物。苯环上磺酸基团的不同位置导致了不同的配位聚合物和不同的化学性质。

  DOI：

  10.1039/c3ra47136e

文献信息

• USE OF NITROGEN COMPOUNDS QUATERNISED WITH ALKYLENE OXIDE AND HYDROCARBYL-SUBSTITUTED POLYCARBOXYLIC ACID AS ADDITIVES IN FUELS AND LUBRICANTS
  申请人：BASF SE

  公开号：US20160130514A1

  公开（公告）日：2016-05-12

  The invention relates to the use of quaternized nitrogen compounds as a fuel and lubricant additive or kerosene additive, such as in particular as a detergent additive, for decreasing or preventing deposits in the injection systems of direct-injection diesel engines, in particular in common rail injection systems, for decreasing the fuel consumption of direct-injection diesel engines, in particular of diesel engines having common rail injection systems, and for minimizing the power loss in direct-injection diesel engines, in particular in diesel engines having common rail injection systems; the invention further relates to the use as an additive for petrol, in particular for operation of DISI engines.

  该发明涉及将季铵化氮化合物用作燃料和润滑剂添加剂或煤油添加剂，特别是作为清洁剂添加剂，用于减少或预防直喷柴油发动机的喷射系统中的沉积物，在特定是在共轨喷射系统中，用于降低直喷柴油发动机的燃料消耗，特别是具有共轨喷射系统的柴油发动机，并用于减少直喷柴油发动机的功率损失，特别是在具有共轨喷射系统的柴油发动机中；该发明还涉及将其用作汽油添加剂，特别是用于DISI发动机的运行。
• Triethylammonium-based protic ionic liquids with sulfonic acids: Phase behavior and electrochemistry
  作者：L.E. Shmukler、M.S. Gruzdev、N.O. Kudryakova、Yu A. Fadeeva、A.M. Kolker、L.P. Safonova

  DOI：10.1016/j.molliq.2018.06.059

  日期：2018.9

  Six triethylammonium-based protic ionic liquids (PILs) and two molten salts were synthesized via a proton transfer reaction from sulfonic acid to triethylamine (TEA). The PILs were characterized by 1H NMR, 13C NMR, 1H/15N NMR and FT-IR spectroscopic methods. The phase behavior of the PILs was studied using differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). The temperature

  通过从磺酸到三乙胺（TEA）的质子转移反应合成了六种基于三乙铵的质子离子液体（PIL）和两种熔融盐。通过1 H NMR，13 C NMR，1 H / 15表征PILN NMR和FT-IR光谱法。使用差示扫描量热法（DSC）和热重分析（TGA）研究了PIL的相行为。研究了PIL的电导率，粘度和电化学稳定性窗口（ECW）的温度依赖性。三乙基三氟甲磺酸铵记录了最高的电导率和ECW值。通过三乙基铵基磺酸盐的性能，与文献数据相比较，分析了在这项工作中获得的盐的热和电化学特性。
• THIAZOLYL-DIHYDRO-CHINAZOLINE
  申请人：Brandl Trixi

  公开号：US20070238746A1

  公开（公告）日：2007-10-11

  Disclosed are compounds of general formula (I), wherein the groups A, R 1 , R 2 , R a and R b have the meanings given in the claims and specification, the tautomers, racemates, enantiomers, diastereomers and the mixtures thereof, and optionally the pharmacologically acceptable acid addition salts, solvates and hydrates thereof, and processes for preparing these thiazolyl-dihydro-quinazolines and the use thereof as pharmaceutical compositions.

  揭示了一般式(I)的化合物， 其中，基团A，R1，R2，Ra和Rb具有权利要求和说明中给定的含义，其互变异构体，拉克酸盐，对映体，非对映体和它们的混合物，以及可选择的药理学上可接受的酸加盐，溶剂合物和水合物，以及制备这些噻唑基-二氢喹唑啉并将其用作药物组合物的方法。
• Pteridinone derivatives as PI3-kinases inhibitors
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：EP1953163A1

  公开（公告）日：2008-08-06

  New compounds of formula 1 are provided which by virtue of their pharmaceutical activity as PI3-kinase modulators may be used in the therapeutic field for the treatment of inflammatory or allergic diseases. Examples of these include inflammatory and allergic respiratory complaints, inflammatory diseases of the gastro-intestinal tract and motor apparatus, inflammatory and allergic skin diseases, inflammatory eye diseases, diseases of the nasal mucosa, inflammatory or allergic conditions involving autoimmune reactions or inflammations of the kidney.

  根据其作为PI3-激酶调节剂的药理活性，提供了公式1的新化合物，可用于治疗炎症或过敏性疾病的治疗领域。 这些例子包括炎症和过敏性呼吸道疾病，胃肠道和运动器官的炎症性疾病，炎症性和过敏性皮肤疾病，炎症性眼病，鼻黏膜疾病，涉及自身免疫反应或肾脏炎症的炎症性或过敏性疾病。
• THIAZOLYL-DIHYDRO-INDAZOLE
  申请人：Maier Udo

  公开号：US20070259855A1

  公开（公告）日：2007-11-08

  Disclosed are compounds of general formula (I), wherein the groups R 1 , R 2 , R a and R b have the meanings given in the claims and specification, the tautomers, racemates, enantiomers, diastereomers and the mixtures thereof, and optionally the pharmacologically acceptable acid addition salts, solvates and hydrates thereof, and processes for preparing these thiazolyl-dihydro-indazoles and the use thereof as pharmaceutical compositions.

  揭示了一般式(I)的化合物， 其中基团R1、R2、Ra和Rb具有权利要求和说明中给定的含义，其互变异构体、消旋体、对映体、非对映异构体及其混合物，以及可选择的药理学上可接受的酸加盐、溶剂化合物和水合物，以及制备这些噻唑基二氢吲唑烷并将其用作药物组合物的方法。

表征谱图