1,3,5-苯三磺酰氯 | 21538-06-7

• 物质功能分类: 化学试剂 - 有机试剂 - 酰卤
• 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: 1,3,5-苯三磺酰氯
• 英文名称: 1,3,5-benzenetrisulfonyl chloride
• 英文别名: benzene-1,3,5-trisulfonyl chloride；Benzol-1,3,5-trisulfonylchlorid；Trichlorid aus Benzol-trisulfonsaeure-(1.3.5)；benzene-1,3,5-trisulfonyl trichloride；1,3,5-benzene trisulfonyl chloride；1,3,5-Benzenetrisulfonyl trichloride
• CAS: 21538-06-7
• 化学式: C₆H₃Cl₃O₆S₃
• mdl: MFCD00041880
• 分子量: 373.643
• InChiKey: HDPRVQJRZUJZPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2904909090

SDS

Name:	1 3 5-Benzenetrisulfonyl chloride Material Safety Data Sheet
Synonym:	None
CAS:	21538-06-7

Section 1 - Chemical Product MSDS Name:1 3 5-Benzenetrisulfonyl chloride Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
21538-06-7	1,3,5-Benzenetrisulfonyl chloride	ca.100	244-428-8

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.The toxicological properties of this material have not been fully investigated.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated.
Aspiration may lead to pulmonary edema. May cause systemic effects.
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. 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 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:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
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. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Use agent most appropriate to extinguish fire. Do NOT get water inside containers.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
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. Do not get water inside containers.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Do not get in eyes, on skin, or on clothing. Keep container tightly closed.
Do not ingest or inhale. Use with adequate ventilation. Do not allow contact with water. Discard contaminated shoes. Keep from contact with moist air and steam.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. Store protected from moisture.

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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. Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 21538-06-7: 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 prevent skin exposure.
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. Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: Not available.
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 189.00 - 191.00 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: C6H3Cl3O6S3
Molecular Weight: 373.63

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, moisture, strong oxidants.
Incompatibilities with Other Materials:
Moisture.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 21538-06-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,3,5-Benzenetrisulfonyl chloride - 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: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 21538-06-7: No information available.
Canada
CAS# 21538-06-7 is listed on Canada's NDSL List.
CAS# 21538-06-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 21538-06-7 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途

1,3,5-苯三磺酰氯可用作有机合成中的酰化试剂或羧酸的保护试剂。

反应信息

• 作为反应物：
  描述：

  1,3,5-苯三磺酰氯 在 吡啶 、 盐酸 、 ZnF₂ 作用下， 以 ice-water 为溶剂， 以55%的产率得到1,3,5-benzenetrisulfonyl fluoride
  参考文献：
  名称：

  Process for the preparation of fluorinated benzene sulfonyl fluorides

  摘要：

  本发明涉及一种制备氟代苯磺酰氟的方法，包括以下步骤：在碱金属氟的存在下，加热具有化学式（I）的苯磺酰氟 ##STR1## 其中，Y为氟、氯、溴、碘、甲基基团、乙基基团或丙基基团；p为0至3；q为2至6，条件和时间足以提供具有化学式（II）的氟代苯磺酰氟 ##STR2## 其中，x为1至5；m=q-x；Y和p如上所定义。本发明还提供具有化学式（III）的新型苯磺酰氟 ##STR3## 其中，每个Y都为对位或间位于--SO.sub.2 F，独立选择自氯、氟、氟磺酰、甲基基团、乙基基团和丙基基团；p为1或2。氟代苯磺酰氟是多功能的氟代中间体。它们可以轻松转化为具有潜在活性的磺酰胺，或者磺酰基可以转化为另一种功能基团，或者去除以提供氟代苯。

  公开号：

  US04886629A1
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 chlorosulphuric acid 作用下， 生成 1,3,5-苯三磺酰氯
  参考文献：
  名称：

  Walter; Lutwak, Kolloid-Beihefte, 1933, vol. 37, p. 385,390

  摘要：

  DOI：

文献信息

• Process for the preparation of fluorinated benzene sulfonyl fluorides
  申请人：Allied-Signal Inc.

  公开号：US04886629A1

  公开（公告）日：1989-12-12

  The present invention relates to a process for the preparation of a fluorinated benzene sulfonyl fluoride comprising the step of: heating a benzene sulfonyl fluoride of the Formula (I) ##STR1## where Y is fluorine, chlorine, bromine, iodine, a methyl group, an ethyl group, or a propyl group; p is 0 to 3; and q is 2 to 6, in the presence of an alkali metal fluoride under conditions and for a time sufficient to provide a fluorinated benzene sulfonyl fluoride of the Formula (II) ##STR2## where x is 1 to 5; m=q-x; and Y and p are as defined above. The present invention also provides novel benzene sulfonyl fluorides of the Formula (III) ##STR3## where each Y is meta or para to --SO.sub.2 F and is independently selected from the group consisting of chlorine, fluorine, fluorosulfonyl, methyl group, ethyl group, and propyl group; and p is 1 or 2. The fluorinated benzene sulfonyl fluorides are versatile fluorinated intermediates. They are readily converted to sulfonamides of potential activity, or the sulfonyl group can be converted into another functional group, or removed to provide fluorinated benzenes.

  本发明涉及一种制备氟代苯磺酰氟的方法，包括以下步骤：在碱金属氟的存在下，加热具有化学式（I）的苯磺酰氟 ##STR1## 其中，Y为氟、氯、溴、碘、甲基基团、乙基基团或丙基基团；p为0至3；q为2至6，条件和时间足以提供具有化学式（II）的氟代苯磺酰氟 ##STR2## 其中，x为1至5；m=q-x；Y和p如上所定义。本发明还提供具有化学式（III）的新型苯磺酰氟 ##STR3## 其中，每个Y都为对位或间位于--SO.sub.2 F，独立选择自氯、氟、氟磺酰、甲基基团、乙基基团和丙基基团；p为1或2。氟代苯磺酰氟是多功能的氟代中间体。它们可以轻松转化为具有潜在活性的磺酰胺，或者磺酰基可以转化为另一种功能基团，或者去除以提供氟代苯。
• Bottom Antireflective Coating Compositions
  申请人：Houlihan Francis M.

  公开号：US20090104559A1

  公开（公告）日：2009-04-23

  Developable bottom antireflective coating compositions are provided.

  提供可开发底部防反射涂层组合物。
• Structure-activity relationship studies with symmetric naphthalenesulfonic acid derivatives. Synthesis and influence of spacer and naphthalenesulfonic acid moiety on anti-HIV-1 activity
  作者：Prem Mohan、Man Fai Wong、Sandeep Verma、Peggy P. Huang、Anura Wickramasinghe、Masanori Baba

  DOI：10.1021/jm00066a008

  日期：1993.7

  Symmetric bis(naphthalenesulfonic acid) derivatives containing a variety of spacers have been synthesized and evaluated for anti-HIV-1 activity in four assay systems. In the assay that measured inhibition of HIV-1-induced cytopathogenicity using a laboratory strain (HTLV-IIIB), a hexamethylene and octamethylene spacer derivative of 4-amino-5-hydroxy-2,7-naphthalenedisulfonic acid emerged as the most potent

  合成了含有多种间隔基的对称双（萘磺酸）衍生物，并在四种测定系统中评估了其抗HIV-1活性。在使用实验室菌株（HTLV-IIIB）测定对HIV-1诱导的细胞致病性抑制作用的测定中，最有效的衍生物是4-氨基-5-羟基-2,7-萘二磺酸的六亚甲基和八亚甲基间隔衍生物。六亚甲基间隔类似物的体外治疗指数> 120。在巨细胞形成试验中测试了选定的衍生物。在该测定中，最有效的衍生物还是六亚甲基化合物。针对HIV-1（HE株）的临床分离株对所选衍生物的评估表明，六亚甲基衍生物是最有效的化合物。在测定抑制人类外周血淋巴细胞中HIV-1诱导的细胞病变的实验中，六亚甲基化合物以最活跃的衍生物形式出现，显示50％的抑制浓度为1.3 microM。这些研究清楚地表明，某些萘磺酸基团与特定的间隔基偶联时，在无毒浓度下可产生抗HIV-1活性。在4-氨基-5-羟基-2，7-萘二磺酸系列中，间隔物长度的缩短，优选具有柔性聚
• Self-assembled nanostructures with macroscopic polar order
  申请人：——

  公开号：US20040010028A1

  公开（公告）日：2004-01-15

  A three-dimensional molecular array on one of a conductor and semiconductor surface is disclosed. The array comprises at least one columnar stack comprising a plurality of substituted aromatic rings, wherein the aromatic rings of each columnar stack lie about parallel to the surface, wherein the columnar stack comprises a plurality of hydrogen bonds between substituents of different rings. Each stack may include aromatic amides in which the amido group is not coplanar with the aromatic core. A method for the synthesis of such aromatic amides is also disclosed. The aromatic amides may also be used to prepare pyro-ferro-, and piezo electric devices, as well as nonlinear optical devices and conductors, which comprise the columnar stacks described.

  本发明公开了一种在导体和半导体表面之一上的三维分子阵列。该阵列包括至少一个柱状堆叠，其中包括多个取代芳香环，每个柱状堆叠的芳香环大致平行于表面，其中柱状堆叠包括不同环的取代基之间的多个氢键。每个堆叠可以包括芳香酰胺，其中酰胺基与芳香核不共面。本发明还公开了一种合成这种芳香酰胺的方法。这些芳香酰胺还可以用于制备热电、铁电、压电器件，以及非线性光学器件和导体，其中包括所述的柱状堆叠。
• Sulfo-m-phenylenebis(sulfonylimino)diisophthalic acid salts
  申请人：American Cyanamid Company

  公开号：US04120894A1

  公开（公告）日：1978-10-17

  Sulfo-m-phenylenebis(sulfonylimino)diisophthalic acid salts useful as complement inhibitors.

  磺酸-m-苯基双(磺酰亚胺)二异酞酸盐可用作补体抑制剂。