9-氧代-9H-芴-2,7-二磺酰氯 | 13354-21-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 中文名称: 9-氧代-9H-芴-2,7-二磺酰氯
• 中文别名: 9-羰基-9H-芴-2,7-二磺酰二氯化
• 英文名称: 9-oxo-9H-fluorene-2,7-disulfonyl dichloride
• 英文别名: 9-oxofluorene-2,7-disulfonyl dichloride；2,7-bis(chlorosulfonyl)-fluorenone；9-oxo-fluorene-2,7-disulfonyl chloride；Fluorenon-disulfonsaeure-(2.7)-dichlorid；9-Oxo-fluoren-2,7-disulfonylchlorid；Fluorenon-2,7-disulfonylchlorid；9-oxofluorene-2,7-disulfonyl chloride
• CAS: 13354-21-7
• 化学式: C₁₃H₆Cl₂O₅S₂
• 分子量: 377.226
• InChiKey: ZQLFXNQIQZAHMI-UHFFFAOYSA-N

物化性质

• 熔点：
  209-212°C
• 沸点：
  598.9±43.0 °C(Predicted)
• 密度：
  1.729±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  MOISTURE SENSITIVE, CORROSIVE
• 危险品标志：
  Xi,C
• 危险类别码：
  R34

SDS

Name:	9-Oxo-9h-fluorene-2 7-disulfonyl dichloride 97% Material Safety Data Sheet
Synonym:	9-Fluorenone-2,7-disulphonyl chlorid
CAS:	13354-21-7

Section 1 - Chemical Product MSDS Name:9-Oxo-9h-fluorene-2 7-disulfonyl dichloride 97% Material Safety Data Sheet
Synonym:9-Fluorenone-2,7-disulphonyl chlorid

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
13354-21-7	9-Oxo-9H-fluorene-2,7-disulfonyl dichl	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

---

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.

---

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.

---

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.

---

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. Store under nitrogen.

---

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# 13354-21-7: 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 209 - 212 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: C13H6Cl2O5S2
Molecular Weight: 377

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, oxides of sulfur, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 13354-21-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
9-Oxo-9H-fluorene-2,7-disulfonyl dichloride - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

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

---

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

---

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 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# 13354-21-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13354-21-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13354-21-7 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  9-氧代-9H-芴-2,7-二磺酰氯 在 对甲苯磺酸 吡啶 作用下， 以 乙醇 为溶剂， 反应 8.0h， 生成 9-hydrazono-N,N'-bis(3-hydroxyphenyl)-9H-fluorene-2,7-disulfonamide
  参考文献：
  名称：

  FLUORENES AND ANTHRACENES THAT INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS

  摘要：

  式(I)1的化合物是新型的含有P2X3和P2X2/P2X3受体拮抗剂，可用于治疗疼痛、尿失禁和膀胱过度活动。

  公开号：

  US20040019042A1
• 作为产物：
  描述：

  Fluoren-2,7-disulfonsaeure 在 五氯化磷 、 permanganate(VII) ion 作用下， 生成 9-氧代-9H-芴-2,7-二磺酰氯
  参考文献：
  名称：

  Courtot; Geoffroy, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1924, vol. 178, p. 2261

  摘要：

  DOI：

文献信息

• DIMERIC IAP INHIBITORS
  申请人：STRAUB Christopher Sean

  公开号：US20110206690A1

  公开（公告）日：2011-08-25

  The present invention provides compounds of formula M-L-M′ (where M and M′ are each independently a monomeric moiety of Formula (I) and L is a linker). The dimeric compounds have been found to be effective in promoting apoptosis in rapidly dividing cells.

  本发明提供了公式M-L-M′的化合物（其中M和M′分别是公式（I）中的单体基团，L是连接物）。已发现二聚化合物在促进快速分裂细胞凋亡方面具有有效性。
• [EN] SMALL MOLECULE FERROPTOSIS INDUCERS<br/>[FR] INDUCTEURS DE FERROPTOSE À PETITES MOLÉCULES
  申请人：UNIV COLUMBIA

  公开号：WO2018118711A1

  公开（公告）日：2018-06-28

  The present invention provides, inter alia, a compound according to formula (I). Also provided are compositions containing a pharmaceutically acceptable carrier and a compound according to the present invention. Further provided are methods for regulating GPX4 in a cell and methods for inducing ferroptosis in a cell.

  本发明提供了一种符合公式（I）的化合物，此外还提供了含有药学上可接受载体和本发明中化合物的组合物。进一步提供了在细胞中调节GPX4的方法以及在细胞中诱导铁死亡的方法。
• Novel antibacterial agents
  申请人：Christensen G. Burton

  公开号：US20070134729A1

  公开（公告）日：2007-06-14

  This invention relates to novel multibinding compounds (agents) that are antibacterial agents. The multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands in their monovalent (i.e., unlinked) state have the ability to bind to a an enzyme involved in cell wall biosynthesis and metabolism, a precursor used in the synthesis of the bacterial cell wall and/or the bacterial cell surface thereby interfere with the synthesis and/or metabolism of the cell wall. In particular the multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands has a ligand domain capable of binding to penicillin binding proteins, a transpeptidase enzyme, a substrate of a transpeptidase enzyme, a beta-lactamase enzyme, pencillinase enzyme, cephalosporinase enzyme, a transglycoslase enzyme, or a transglycosylase enzyme substrate; Preferably, the ligands are selected from the beta lactam or glycopeptide class of antibacterial agents.

  本发明涉及一种新型多结合化合物（药剂），其为抗菌剂。该发明的多结合化合物由2-10个配体通过连接剂或连接剂共价连接而成，其中每个单价（即未连接的）配体具有与细胞壁生物合成和代谢中的酶、合成细菌细胞壁和/或细菌细胞表面的前体有结合能力，从而干扰细胞壁的合成和/或代谢。特别地，本发明的多结合化合物由2-10个配体通过连接剂或连接剂共价连接而成，其中每个配体具有能够结合青霉素结合蛋白、横向肽酶酶、横向肽酶酶底物、β-内酰胺酶、青霉素酶、头孢菌素酶、横向转移酶酶或横向转移酶酶底物的配体结构域。优选地，配体选自β-内酰胺类或糖肽类抗菌剂。
• Beta2-adrenergic receptor agonists
  申请人：Moran J. Edmund

  公开号：US20070179179A1

  公开（公告）日：2007-08-02

  Disclosed are multibinding compounds which are β2 adrenergic receptor agonists and are useful in the treatment and prevention of respiratory diseases such as asthma, bronchitis. They are also useful in the treatment of nervous system injury and premature labor.

  本发明涉及多重结合化合物，其为β2肾上腺素能受体激动剂，可用于治疗和预防哮喘、支气管炎等呼吸系统疾病。它们还可用于治疗神经系统损伤和早产。
• Muscarinic receptor antagonists
  申请人：Aggen James

  公开号：US20090306134A1

  公开（公告）日：2009-12-10

  Disclosed are multibinding compounds which are muscarinic receptor antagonists. The multibinding compounds of this invention containing from 2 to 10 ligands covalently attached to one or more linkers. Each ligand is, independently of each other, a muscarinic receptor antagonist or an allosteric modulator provided that at least one of said ligand is a muscarinic receptor antagonist. The multibinding compounds of this invention are useful in the treatment and prevention of diseases such as chronic obstructive pulmonary disease, chronic bronchitis, irritable bowel syndrome, urinary incontinence, and the like.

  本发明涉及一种多结合化合物，其为肌动蛋白受体拮抗剂。该发明的多结合化合物包含2至10个配体共价连接到一个或多个连接体上。每个配体是独立的，可以是肌动蛋白受体拮抗剂或变构调节剂，但至少其中一个配体是肌动蛋白受体拮抗剂。本发明的多结合化合物在治疗和预防慢性阻塞性肺疾病、慢性支气管炎、肠易激综合征、尿失禁等疾病方面具有用途。