sodium 4-chloro-3-nitrobenzenesulfonate | 17691-19-9

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酸/亚磺酸
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: sodium 4-chloro-3-nitrobenzenesulfonate
• 英文别名: 4-chloro-3-nitrobenzenesulphonic acid sodium salt；sodium;4-chloro-3-nitrobenzenesulfonate
• CAS: 17691-19-9
• 化学式: C₆H₃ClNO₅S*Na
• 分子量: 259.602
• InChiKey: POUGKTDTYSAMAT-UHFFFAOYSA-M

物化性质

• 沸点：
  595.75℃[at 101 325 Pa]
• 密度：
  1.747[at 20℃]
• LogP：
  -2.49
• 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)：
  -1.84
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2904909090
• 储存条件：
  存放于阴凉干燥处。

SDS

Name:	4-Chloro-3-nitrobenzenesulfonic acid sodium salt 98% (tlc) Material Safety Data Sheet
Synonym:	Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt; Sodium 4-chloro-3-nitrobenzenesulphonat
CAS:	17691-19-9

Section 1 - Chemical Product MSDS Name:4-Chloro-3-nitrobenzenesulfonic acid sodium salt 98% (tlc) Material Safety Data Sheet
Synonym:Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt; Sodium 4-chloro-3-nitrobenzenesulphonat

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
17691-19-9	4-Chloro-3-nitrobenzenesulfonic acid,	98	241-680-0

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

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

---

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.
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:
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.
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. 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.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Provide ventilation.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 17691-19-9: 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: pale yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C6H3ClNO5SNa
Molecular Weight: 259.59

---

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, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 17691-19-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Chloro-3-nitrobenzenesulfonic acid, sodium salt, (TLC) - 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
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: 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.
WGK (Water Danger/Protection)
CAS# 17691-19-9: 1
Canada
CAS# 17691-19-9 is listed on Canada's NDSL List.
CAS# 17691-19-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17691-19-9 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：

  sodium 4-chloro-3-nitrobenzenesulfonate 在 氢气 作用下， 以 甲醇 、 水 为溶剂， 生成 3-氨基-4-氯苯磺酸钠
  参考文献：
  名称：

  CASR AGONIST

  摘要：

  公开号：

  EP2345636B1
• 作为产物：
  描述：

  硝基氯苯 在 氯磺酸 、 sodium carbonate 作用下， 以 水 为溶剂， 反应 4.0h， 以98.9%的产率得到sodium 4-chloro-3-nitrobenzenesulfonate
  参考文献：
  名称：

  氯磺酸磺化制备间硝基苯磺酸钠及其衍生物 的方法

  摘要：

  本发明公开了一种氯磺酸磺化制备间硝基苯磺酸钠及其衍生物的方法，包括以下步骤：1)、向反应容器中加入硝基苯类原料和氯磺酸，硝基苯类原料﹕氯磺酸＝1﹕0.4～0.6的摩尔比，升温至90～150℃保温进行磺化反应；磺化反应过程中产生的氯化氢气体被及时排出反应体系；2)、将步骤1)所得的反应液利用钠碱进行后处理，得间硝基苯磺酸钠或其衍生物。本发明采用了逆向思维的方式，降低氯磺酸的用量直至少于硝基苯的用量，从而实现用过量的硝基苯把少量的氯磺酸转化掉；因此，本发明的方法不存在处理残留氯磺酸的问题。且，过量的硝基苯能轻易的实现回收循环利用，作为副产物的氯化氢也很容易分离、并实现回收利用。

  公开号：

  CN108997175B

文献信息

• Process for the preparation of 2-aminobenzene-1,4-disulphonic acids and
  申请人：Bayer Aktiengesellschaft

  公开号：US05315036A1

  公开（公告）日：1994-05-24

  The present invention relates to an improved preparation process for 2-aminobenzene-1,4-disulphonic acids and the new compound 6-chloro-2-aminobenzene-1,4-disulphonic acid.

  本发明涉及一种改进的2-氨基苯-1,4-二磺酸的制备工艺，以及新化合物6-氯-2-氨基苯-1,4-二磺酸。
• Heparanase inhibitors and uses thereof
  申请人：Van Gelder M. Joel

  公开号：US20070185176A1

  公开（公告）日：2007-08-09

  The invention provides heparanase inhibitors suitable for treatment of diseases and disorders caused by or associated with heparanase catalytic activity such as cancer, inflammatory disorders and autoimmune diseases.

  该发明提供了适用于治疗由或与肝素酶催化活性相关的疾病和疾病的肝素酶抑制剂，例如癌症，炎症性疾病和自身免疫疾病。
• A Convenient Synthesis Of 2-Methyl-5-(Methylthio)Benzothiazole
  作者：Doreen C. Lynch、James R. Miller、Terence D. Spawn

  DOI：10.1080/00397919708004210

  日期：1997.3

  Abstract A convenient and efficient four step synthesis of 2-methyl-5-(methylthio)benzothiazole is presented.

  摘要 提出了一种方便有效的四步合成2-甲基-5-(甲硫基)苯并噻唑的方法。
• Tetrahydropyran derivative
  申请人：Suga Akira

  公开号：US20050239780A1

  公开（公告）日：2005-10-27

  The invention has succeeded in settling the aforementioned problems by finding that a novel tetrahydropyran derivative has excellent apo B-related lipoprotein secretion-inhibiting activity.

  该发明通过发现一种新型四氢吡喃衍生物具有出色的apo B相关脂蛋白分泌抑制活性，成功解决了上述问题。
• CASR AGONISTS
  申请人：Sugiki Masayuki

  公开号：US20110251418A1

  公开（公告）日：2011-10-13

  By searching various kinds of compounds having CaSR agonistic activity, the present invention provides CaSR agonistic agents, pharmaceutical compositions, preventive or therapeutic agents for diarrhea and kokumi-imparting agents each of which comprise the compound. More specifically, the present invention provides CaSR agonistic agents, pharmaceutical compositions, preventive or therapeutic agents for diarrhea and kokumi-imparting agents each of which comprise a glutamic acid derivative having CaSR agonistic activity or pharmaceutically acceptable salts thereof.

  通过搜索具有CaSR激动活性的各种化合物，本发明提供了包含该化合物的CaSR激动剂、制药组合物、预防或治疗腹泻的药剂和增强口感的药剂。更具体地说，本发明提供了包含具有CaSR激动活性的谷氨酸衍生物或其药学上可接受的盐的CaSR激动剂、制药组合物、预防或治疗腹泻的药剂和增强口感的药剂。