5-(4-硝基苯磺酰)噻唑-2-胺 | 39565-05-4

• 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: 5-(4-硝基苯磺酰)噻唑-2-胺
• 中文别名: 2-氨基-5-(4-硝基苯磺酰基)-噻唑；2-胺基-5-(4-硝基苯磺酰)-噻唑；4-硝基苯基-(2-氨基噻唑-5-基)砜；2-氨基-5-(4-硝基苯基磺酰基)噻唑
• 英文名称: 5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-amine
• 英文别名: 2-amino-5-[(4-nitrophenyl)sulfonyl]thiazole；2-Amino-5-(4-nitrophenylsulfonyl)thiazole；5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine
• CAS: 39565-05-4
• 化学式: C₉H₇N₃O₄S₂
• mdl: MFCD00005327
• 分子量: 285.304
• InChiKey: GKTKCGAOXFHFTD-UHFFFAOYSA-N

物化性质

• 熔点：
  222 °C
• 沸点：
  572.7±30.0 °C(Predicted)
• 密度：
  1.6338 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  156
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• 海关编码：
  2934100090
• 储存条件：
  存放于阴凉干燥处。

SDS

Name:	2-Amino-5-(4-nitrophenylsulfonyl)- thiazole Material Safety Data Sheet
Synonym:	2-Amino-5(p-nitrophenylsulfonyl)Thiazole; 2-Thiazolamine,s-((4-nitrophenyl)Sulfonyl
CAS:	39565-05-4

Section 1 - Chemical Product MSDS Name:2-Amino-5-(4-nitrophenylsulfonyl)- thiazole Material Safety Data Sheet
Synonym:2-Amino-5(p-nitrophenylsulfonyl)Thiazole; 2-Thiazolamine,s-((4-nitrophenyl)Sulfonyl

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
39565-05-4	2-Amino-5-(4-nitrophenylsulfonyl)-thia	100.00	254-515-2

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Dust may cause mechanical irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: 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. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
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:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Antidote: None reported.

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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 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
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.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 39565-05-4: 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:
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: Powder
Color: yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 222.00 - 226.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H7N3O4S2
Molecular Weight: 285.28

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 39565-05-4: XJ2870000 LD50/LC50:
Not available.
Carcinogenicity:
2-Amino-5-(4-nitrophenylsulfonyl)-thiazole - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
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# 39565-05-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 39565-05-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 39565-05-4 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

反应信息

• 作为反应物：
  描述：

  5-(4-硝基苯磺酰)噻唑-2-胺 在 palladium diacetate potassium fluoride 、 polymethylhydrosiloxane 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.5h， 以94%的产率得到噻唑砜
  参考文献：
  名称：

  一锅法将硝基化合物转化为胺、羟胺、酰胺、磺胺和氨基甲酸酯的钯催化硅烷/硅氧烷还原

  摘要：

  醋酸钯 (II)、氟化钾水溶液和聚甲基氢硅氧烷 (PMHS) 的组合有助于在室温下将芳香族硝基化合物还原为苯胺。这些反应往往快速（30 分钟）、高产，并且可以耐受一系列其他官能团。用三乙基硅烷代替 PMHS/KF 可以将脂肪族硝基化合物还原为相应的羟胺。根据底物的不同，这两种条件都可以将产物胺原位转化为酰胺、磺酰胺和氨基甲酸酯。

  DOI：

  10.1055/s-2006-950231
• 作为产物：
  描述：

  (4-nitro-benzenesulfonyl)-acetaldehyde diethylacetal 在 溴 、 溶剂黄146 作用下， 生成 5-(4-硝基苯磺酰)噻唑-2-胺
  参考文献：
  名称：

  Ohta, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1948, vol. 68, p. 216

  摘要：

  DOI：

文献信息

• Therapeutic amides
  申请人：Imperial Chemical Industries PLC

  公开号：US05272163A1

  公开（公告）日：1993-12-21

  Amides having formula I: ##STR1## wherein E, X, R.sup.2 and R.sup.3 have the meanings given in the specification, and pharmaceutically acceptable salts and pharmaceutically acceptable in vivo hydrolysable esters thereof, which are useful in the treatment of urinary incontinence. Further provided are processes for preparing the amides and pharmaceutical compositions containing them.

  酰胺具有以下化学式I：##STR1## 其中E、X、R.sup.2和R.sup.3的含义如规范中所述，并且其药学上可接受的盐和在体内可水解的酯，可用于治疗尿失禁。还提供了制备这些酰胺的方法和含有它们的药物组合物。
• Host-guest complexes of crown ethers with HN-proton-donor molecules
  作者：Wen-Jwu Wang、E. V. Ganin

  DOI：10.1007/s11176-005-0118-0

  日期：2004.12

  Crown ethers were reacted with HN-proton-donor molecules to obtain crystalline molecular host-guest complexes. It was found that complexes with crown ethers of different structure are formed, depending on the linear dimensions and mode of steric shielding of active centers of the proton-donor molecules.

  冠醚与HN质子供体分子反应，得到结晶的分子主客体复合物。研究发现，根据质子供体分子活性中心的线性尺寸和立体屏蔽方式，形成了不同结构的冠醚复合物。
• [EN] SUBSTITUTED PYRROLIDINONE AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE<br/>[FR] PYRROLIDINONE SUBSTITUÉE EN TANT QU'INHIBITEURS DE LA POLYMÉRASE DU VIRUS DE L'HÉPATITE C NS5B, COMPOSITION PHARMACEUTIQUE LA COMPRENANT ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：VIVALIS

  公开号：WO2011004018A1

  公开（公告）日：2011-01-13

  The present invention concerns a substituted pyrrolidinone of the following formula I or a salt, solvate, tautomer, isotope, enantiomer, diastereoisomer or racemic mixture thereof:(I), for the treatment of hepatitis C.

  本发明涉及以下式I的取代吡咯烷酮或其盐、溶剂合物、互变异构体、同位素、对映体、非对映异构体或其外消旋混合物，用于治疗丙型肝炎。
• Thiazole derivatives, processes for production thereof and
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05256675A1

  公开（公告）日：1993-10-26

  Compounds of the formula: ##STR1## wherein A is S, SO, or SO2, R1 is H or acyl, R2 is H, alkyl, hydroxyalkyl, halogen or carboxy, and R3 is pyridyl are claimed. The compounds are useful as therapeutic agents for the treatment of e.g. rheumatism, nephritis and thrombocytopenia.

  该公式化合物为：##STR1## 其中A为S、SO或SO2，R1为H或酰基，R2为H、烷基、羟基烷基、卤素或羧基，R3为吡啶基。这些化合物可用作治疗药剂，用于治疗风湿病、肾炎和血小板减少症等疾病。
• Electrooptic chromophores with large optical birefringence for applications at high speed and short wavelengths
  申请人：McGinniss D. Vincent

  公开号：US20060106262A1

  公开（公告）日：2006-05-18

  Disclosed is a series of materials, which exhibit large birefringence under the influence of an applied electric field. These materials are capable of switching this large birefringence with a characteristic time on the order of 1 microsecond or less. In addition, these materials have good optical loss at this wavelength, and are stable under irradiation. These materials are suitable for fabrication of optical devices such a variable optical attenuators, switches, and modulators that respond in these time frames or slower. These materials are also suitable for use across a wide range of wavelengths. As a second component of this invention, some of these novel materials exhibit these desired optical properties (large birefringence, low loss, stability under illumination) at wavelengths as short as about 400 nm. These materials are suitable for fabrication of optical devices operating at or about 405 nm, where conventional EO materials strongly absorb and/or quickly degrade.

  披露了一系列材料，这些材料在受到外加电场影响下表现出较大的双折射。这些材料能够在大约1微秒或更短的时间内切换这种较大的双折射。此外，这些材料在这个波长下具有良好的光学损耗，并且在辐照下稳定。这些材料适用于制造像可变光学衰减器、开关和调制器等在这些时间范围或更慢响应的光学器件。这些材料也适用于在广泛波长范围内使用。作为本发明的第二个组成部分，一些新型材料在约400纳米的波长下展现出这些理想的光学特性（较大的双折射、低损耗、辐照下的稳定性）。这些材料适用于制造在或约405纳米波长下运行的光学器件，传统的电光材料在这个波长下会强烈吸收和/或迅速降解。

表征谱图