3-氨基苯磺酰氟盐酸盐 | 3887-48-7

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酰卤化物
• 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: 3-氨基苯磺酰氟盐酸盐
• 英文名称: 3-aminobenzenesulfonyl fluoride hydrochloride
• 英文别名: 3-aminobenzenesulfonyl fluoride;hydron;chloride
• CAS: 3887-48-7
• 化学式: C₆H₆FNO₂S*ClH
• mdl: MFCD00012972
• 分子量: 211.644
• InChiKey: KTADZFWRDLKHKW-UHFFFAOYSA-N

物化性质

• 熔点：
  200 °C
• 稳定性/保质期：

  对水分敏感，请避免与不相容的材料、湿空气或水接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.5
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  C
• 安全说明：
  S26
• 危险类别码：
  R36/37/38,R34,R22
• 海关编码：
  2921499090
• WGK Germany：
  3

SDS

Name:	M-Aminobenzenesulfonyl Fluoride Hydrochloride 98% Material Safety Data Sheet
Synonym:	None known
CAS:	3887-48-7

Section 1 - Chemical Product MSDS Name:M-Aminobenzenesulfonyl Fluoride Hydrochloride 98% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
3887-48-7	Benzenesulfonyl Fluoride, 3-Amino-, Hy	98	223-429-7

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Corrosive.
Potential Health Effects
Eye:
Contact with eyes may cause severe irritation, and possible eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause severe irritation and possible 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. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause perforation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May cause systemic effects.
Inhalation:
May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. May cause systemic effects. Can produce delayed pulmonary edema.
Chronic:
Chronic inhalation and ingestion may cause chronic fluoride poisoning (fluorosis) characterized by weight loss, weakness, anemia, brittle bones, and stiff joints. Effects may be delayed.
Chronic exposure to fluoride compounds may cause systemic toxicity.

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Section 4 - FIRST AID MEASURES
Eyes: 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. 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. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing.
Wash clothing before reuse. Discard contaminated shoes.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 3887-48-7: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: light yellow to light brown
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 200 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H6FNO2S.HCl
Molecular Weight: 211.64

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 3887-48-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzenesulfonyl Fluoride, 3-Amino-, Hydrochloride - 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, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: II
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
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# 3887-48-7: No information available.
Canada
CAS# 3887-48-7 is listed on Canada's NDSL List.
CAS# 3887-48-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3887-48-7 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：

  3-氨基苯磺酰氟盐酸盐 在 ammonium hydroxide 作用下， 生成 间氨基苯磺酰胺
  参考文献：
  名称：

  Carbonic anhydrase inhibitors - Part 49: Synthesis of substituted ureido and thioureido derivatives of aromatic/heterocyclic sulfonamides with increased affinities for isozyme I

  摘要：

  Reaction of nine aromatic/heterocyclic sulfonamides containing a free amino group with aryl isocyanates/isothiocyanates or allyl isothiocyanate afforded the corresponding urea/thiourea derivatives, which were characterized by standard physico-chemical procedures and assayed as inhibitors of three isozymes of carbonic anhydrase (CA), i.e. hCA I, hCA II and bCA IV (h = human, b = bovine isozyme). Another series of compounds, 1,5-disubstituted-2-thiobiuret derivatives, were prepared by reaction of 3,4-dichlorophenyl isocyanate with thioureido-containing aromatic/heterocyclic sulfonamides. Good inhibition of all these three CA isozymes was observed with the new compounds, but an exciting finding was that the ureas/thioureas and especially the above-mentioned thiobiurets reported here have an increased affinity to the slow isozyme hCA I, generally less susceptible to inhibition by sulfonamides, as compared to the rapid isozymes hCA II and bCA IV. Some of the new compounds might constitute good lead molecules for developing more selective CA I inhibitors. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(98)80033-0

文献信息

• Photographic products and processes employing azo dyes, azo
  申请人：Eastman Kodak Company

  公开号：US04156609A1

  公开（公告）日：1979-05-29

  Photographic elements, diffusion transfer assemblages and processes are described which employ a novel nondiffusible compound having a novel releasable azo dye. The dyes are azophenols, or precursors of azophenols, and have electron withdrawing groups in each of the positions ortho to the phenolic hydroxy group.

  描述了使用一种新颖的不可扩散化合物以及具有新颖可释放偶氮染料的扩散转移组件和过程的摄影元素。这些染料是偶氮酚或偶氮酚的前体，并且在酚羟基正交位置上具有电子吸引基团。
• 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases
  作者：Peng Chen、Guanghui Tang、Chengjun Zhu、Jie Sun、Xuan Wang、Menghua Xiang、Huisi Huang、Wei Wang、Lin Li、Zhi-Min Zhang、Liqian Gao、Shao Q. Yao

  DOI：10.1021/jacs.2c11595

  日期：——

  selective small-molecule inhibitors of ABL kinase by selectively targeting the conserved catalytic lysine in the enzyme. We showed the resulting compounds were cell-active, capable of covalently engaging endogenous ABL kinase in K562 cells with long-residence time and few off-targets. We further validated the generality of this strategy by developing EBA-based irreversible inhibitors against EGFR (a kinase)

  近年来，以赖氨酸为靶点的不可逆共价抑制剂引起了越来越多的兴趣，特别是在激酶研究领域。尽管取得了令人鼓舞的进展，但很少有化学方法可用于开发专门针对赖氨酸的、选择性的和细胞活性的抑制剂。我们在此报告了一种基于 2-乙炔基苯甲醛 (EBA) 的赖氨酸靶向策略，通过选择性靶向酶中保守的催化赖氨酸来生成 ABL 激酶的有效且选择性的小分子抑制剂。我们证明所得化合物具有细胞活性，能够与 K562 细胞中的内源 ABL 激酶共价结合，且停留时间长且脱靶很少。我们通过开发基于 EBA 的针对 EGFR（一种激酶）和 Mcl-1（一种非激酶）的不可逆抑制剂，进一步验证了该策略的普遍性，这些抑制剂与每个靶点内的催化和非催化赖氨酸发生共价反应。
• Photographic elements comprising 2-phenylcarbamoyl-1-naphthol image-modifying couplers yielding dyes resistant to crystallization and reduction
  申请人：EASTMAN KODAK COMPANY

  公开号：EP0636936A1

  公开（公告）日：1995-02-01

  Photographic elements comprising certain 2-phenylcarbamoyl-1-naphthol couplers exhibit proper hue, a resistance to dye crystallization, and a resistance to leuco cyan dye formation. Such couplers can be utilized for their image-modifying effect and can contribute substantially to the overall dye density of an image.

  包含某些 2-苯基氨基甲酰基-1-萘酚耦合剂的感光元件具有适当的色调、抗染料结晶性和抗白青色染料形成性。这种耦合剂可用于图像修饰效果，并可大大提高图像的整体染料密度。
• US4156609A
  申请人：——

  公开号：US4156609A

  公开（公告）日：1979-05-29
• US5510235A
  申请人：——

  公开号：US5510235A

  公开（公告）日：1996-04-23

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