均三甲苯磺酸 | 3453-83-6

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类磺化物
• 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: 均三甲苯磺酸
• 中文别名: 1,3,5-三甲基-2-苯磺酰氯；2,4,6-三甲苯基磺酸二水合物；2,4,6-三甲基苯磺酸；2-甲基磺酰氯；均三甲苯硫酸二水合物；2,4,6-三甲苯基磺酸
• 英文名称: mesitylene sulfonic acid
• 英文别名: 2,4,6-trimethyl-benzenesulfonic acid；2,4,6-Trimethylbenzenesulfonic acid
• CAS: 3453-83-6
• 化学式: C₉H₁₂O₃S
• mdl: MFCD00007482
• 分子量: 200.258
• InChiKey: LXFQSRIDYRFTJW-UHFFFAOYSA-N

物化性质

• 熔点：
  55-57 °C(lit.)
• 密度：
  1.243±0.06 g/cm3(Predicted)
• 闪点：
  >230 °F
• 稳定性/保质期：

  在常温常压下，该物质保持稳定。

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S22,S26,S27,S36/37/39,S45
• 危险类别码：
  R34
• WGK Germany：
  3
• 危险品运输编号：
  UN 3261 8/PG 2
• RTECS号：
  DB8930000
• 海关编码：
  2904100000
• 包装等级：
  III
• 危险类别：
  8
• 储存条件：
  常温下应存放在避光、通风且干燥的地方，并密封保存。

SDS

Name:	2-Mesitylenesulfonic acid dihydrate 97% Material Safety Data Sheet
Synonym:	2,4,6-Trimethylbenzenesulfonic acid dihydrat
CAS:	3453-83-6

Section 1 - Chemical Product MSDS Name:2-Mesitylenesulfonic acid dihydrate 97% Material Safety Data Sheet
Synonym:2,4,6-Trimethylbenzenesulfonic acid dihydrat

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
3453-83-6	2-Mesitylenesulfonic acid dihydrate	97	222-379-3

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Light sensitive.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract.
Inhalation:
Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema.
Chronic:
Effects may be delayed.

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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. Do NOT allow victim to rub eyes or keep eyes closed.
Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. Do not use mouth-to-mouth resuscitation if victim ingested or inhaled the substance; induce artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device.
Notes to Physician:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Wash area with soap and water. Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Remove contaminated clothing and wash before reuse. Keep container tightly closed. Do not get on skin or in eyes. Do not ingest or inhale. Use with adequate ventilation. Store protected from light.
Use only in a chemical fume hood. Discard contaminated shoes.
Storage:
Keep refrigerated. (Store below 4C/39F.) Keep containers tightly closed. Store protected from light.

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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# 3453-83-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 76.00 - 78.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C9H12O3S.2H2O
Molecular Weight: 236.29

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures. May discolor on exposure to light. Light sensitive.
Conditions to Avoid:
Incompatible materials, light, excess heat.
Incompatibilities with Other Materials:
Strong bases, strong oxidizing agents, direct light.
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# 3453-83-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Mesitylenesulfonic acid dihydrate - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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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: ARYLSULPHONIC ACIDS, SOLID
Hazard Class: 8
UN Number: 2585
Packing Group: III
IMO
Shipping Name: ARYLSULPHONIC ACIDS, SOLID
Hazard Class: 8
UN Number: 2585
Packing Group: III
RID/ADR
Shipping Name: ARYLSULPHONIC ACIDS, SOLID
Hazard Class: 8
UN Number: 2585
Packing group: III

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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 28 After contact with skin, wash immediately
with...
WGK (Water Danger/Protection)
CAS# 3453-83-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3453-83-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3453-83-6 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途

2-甲基磺酰氯是一种重要的有机化合物，主要用于生产甲基磺酸和多种医药及农药中间体。

合成方法

目前，生产2-甲基磺酰氯常用的方法是采用二甲基二硫的氯气湿法氧化工艺。该工艺具有生产条件温和、投资较小、工艺简单以及产品质量高等优点。

反应信息

• 作为反应物：
  描述：

  均三甲苯磺酸 在 氢氧化钾 作用下， 生成 2,4,6-三甲酚
  参考文献：
  名称：

  Biedermann; Ledoux, Chemische Berichte, 1875, vol. 8, p. 250

  摘要：

  DOI：
• 作为产物：
  描述：

  isopropyl mesityl ketone 在 硫酸 作用下， 生成 均三甲苯磺酸
  参考文献：
  名称：

  Gore, Peter H.; Nassar, Ahmed M. G.; Saad, Esmat F., Journal of the Chemical Society. Perkin transactions II, 1982, p. 983 - 986

  摘要：

  DOI：
• 作为试剂：
  描述：

  胞苷 在 吡啶 、 咪唑 、 均三甲苯磺酸 、 四丁基氟化铵 、 对甲苯磺酸 、 二异丙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 5.16h， 生成 4-N-benzoyl-2'-O-<1-(2-fluorophenyl)-4-methoxypiperidin-4-yl>-3'-O-(9-phenylxanthen-9-yl)cytidine 5'-O-(2-cyanoethyl N,N-diisopropylphosphoramidite)
  参考文献：
  名称：

  Sproat, Brian S.; Beijer, Barbro; Groetli, Morten, Journal of the Chemical Society. Perkin transactions I, 1994, # 4, p. 419 - 432

  摘要：

  DOI：

文献信息

• BENZOTHIOPHENE INHIBITORS OF RHO KINASE
  申请人：Kahraman Mehmet

  公开号：US20080021026A1

  公开（公告）日：2008-01-24

  The present invention relates to compounds and methods which may be useful as inhibitors of Rho kinase for the treatment or prevention of disease.

  本发明涉及化合物和方法，这些化合物和方法可能作为Rho激酶的抑制剂在治疗或预防疾病方面有用。
• [EN] ARYL ETHER-BASE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASES DE TYPE ARYLÉTHER-BASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015038112A1

  公开（公告）日：2015-03-19

  The present disclosure is generally directed to compounds which can inhibit AAK1 (adaptor associated kinase 1), compositions comprising such compounds, and methods for inhibiting AAK1.

  本公开涉及一般可抑制AAK1（适配器相关激酶1）的化合物，包括这些化合物的组合物，以及抑制AAK1的方法。
• [EN] PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE<br/>[FR] COMPOSÉS À BASE DE PYRAZOLO[1,5-A] PYRIMIDINE, COMPOSITIONS LES COMPRENANT ET UTILISATIONS DE CEUX-CI
  申请人：LEXICON PHARMACEUTICALS INC

  公开号：WO2013134228A1

  公开（公告）日：2013-09-12

  Pyrazolo[1,5-a]pyrimidine-based compounds of the formula: are disclosed, wherein R1, R2 and R3 are defined herein. Compositions comprising the compounds and methods of their use to treat, manage and/or prevent diseases and disorders mediated by mediated by adaptor associated kinase 1 activity are also disclosed.

  基于吡唑并[1,5-a]嘧啶的化合物的公式如下：其中R1、R2和R3在此处被定义。还公开了包含这些化合物的组合物以及它们的使用方法，用于治疗、管理和/或预防由适配器相关激酶1活性介导的疾病和紊乱。
• [EN] VIRAL POLYMERASE INHIBITORS<br/>[FR] INHIBITEURS DE POLYMERASE VIRALE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2004065367A1

  公开（公告）日：2004-08-05

  An isomer, enantiomer, diastereoisomer or tautomer of a compound, represented by formula (I): wherein wherein A, B, R2, R3, L, M1, M2, M3, M4, Y1, Y0, Z and Sp are as defined in claim 1, or a salt thereof, as an inhibitor of HCV NS5B polymerase.

  化合物的异构体、对映体、非对映异构体或互变异构体，由式(I)所代表：其中A、B、R2、R3、L、M1、M2、M3、M4、Y1、Y0、Z和Sp如权利要求1中定义，或其盐，作为HCV NS5B聚合酶的抑制剂。
• [EN] NOVEL HEPCIDIN MIMETICS AND USES THEREOF<br/>[FR] NOUVEAUX MIMÉTIQUES D'HEPCIDINE ET LEURS UTILISATIONS
  申请人：BAYER HEALTHCARE LLC

  公开号：WO2018128828A1

  公开（公告）日：2018-07-12

  The present invention relates to novel peptides acting as hepcidin mimetics, as well as analogues and derivatives thereof. The invention further relates to compositions comprising the peptides of the present invention, and to the use of the peptides in the prophylaxis and treatment of hepcidin-associated disorders, including prophylaxis and treatment of iron overload diseases such as hemochromatosis, iron-loading anemias such as thalassemia, and diseases being associated with ineffective or augmented erythropoiesis, as well as further related conditions and disorders described herein.

  本发明涉及作为赫普西定类似物的新型肽，以及其类似物和衍生物。该发明还涉及包含本发明肽的组合物，以及在预防和治疗赫普西定相关疾病中使用这些肽，包括预防和治疗铁过载疾病如血色病、铁负荷性贫血如地中海贫血，以及与效率低下或增强的红细胞生成相关的疾病，以及本文所述的进一步相关病症和疾病。

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