5-氯-4-硝基-2,1,3-苯并噻二唑 | 2274-89-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻二唑类
• 中文名称: 5-氯-4-硝基-2,1,3-苯并噻二唑
• 英文名称: 5-chloro-4-nito-2,1,3-benzothiadiazole
• 英文别名: 5-chloro-4-nitro-benzo[1,2,5]thiadiazole；5-Chlor-4-nitro-benzo[1,2,5]thiadiazol；5-chloro-4-nitrobenzo[c][1,2,5]thiadiazole；5-Chlor-4-nitro-<2,1,3>benzothiadiazol；5-Chlor-4-nitro-2,1,3-benzothiadiazol；5-Chlor-4-nitro-benz-2,1,3-thiadiazol；5-Chloro-4-nitro-2,1,3-benzothiadiazole
• CAS: 2274-89-7
• 化学式: C₆H₂ClN₃O₂S
• mdl: MFCD00084970
• 分子量: 215.62
• InChiKey: MSDMEVQEACHYNS-UHFFFAOYSA-N

物化性质

• 熔点：
  141℃
• 沸点：
  348.8±22.0 °C(Predicted)
• 密度：
  1.749

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  99.8
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090
• 安全说明：
  S26

SDS

Name:	5-Chloro-4-nitro-2 1 3-benzothiadiazole 97% Material Safety Data Sheet
Synonym:
CAS:	2274-89-7

Section 1 - Chemical Product MSDS Name:5-Chloro-4-nitro-2 1 3-benzothiadiazole 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2274-89-7	5-Chloro-4-nitro-2,1,3-benzothiadiazol	97%	unlisted

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.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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# 2274-89-7: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 149 - 152 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: C6H2ClN3O2S
Molecular Weight: 216

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases, amines.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2274-89-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Chloro-4-nitro-2,1,3-benzothiadiazole - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

---

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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 2274-89-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2274-89-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2274-89-7 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-氯-4-硝基-2,1,3-苯并噻二唑 以86的产率得到4-氨基-5-氯-2,1,3-苯并噻二唑
  参考文献：
  名称：

  制备盐酸替扎尼定的绿色新工艺

  摘要：

  本发明涉及一种医药原料药盐酸替扎尼定的制备新工艺。该工艺以4-氯-2-硝基苯胺为原料，经过催化加氢还原、环合、硝化、催化加氢还原、缩合、成盐六步得到盐酸替扎尼定。该工艺不仅后处理简单、易操作，且极大地降低了对环境的污染和对设备的腐蚀，降低了生产成本，更加适合工业化生产。

  公开号：

  CN102140095A
• 作为产物：
  描述：

  5-氯苯并-2,1,3-噻二唑 以85的产率得到5-氯-4-硝基-2,1,3-苯并噻二唑
  参考文献：
  名称：

  制备盐酸替扎尼定的绿色新工艺

  摘要：

  本发明涉及一种医药原料药盐酸替扎尼定的制备新工艺。该工艺以4-氯-2-硝基苯胺为原料，经过催化加氢还原、环合、硝化、催化加氢还原、缩合、成盐六步得到盐酸替扎尼定。该工艺不仅后处理简单、易操作，且极大地降低了对环境的污染和对设备的腐蚀，降低了生产成本，更加适合工业化生产。

  公开号：

  CN102140095A

文献信息

• COVALENT INHIBITORS OF KRAS G12C
  申请人：Araxes Pharma LLC

  公开号：US20140288045A1

  公开（公告）日：2014-09-25

  Irreversible inhibitors of G12C mutant K-Ras protein are provided. Also disclosed are methods to modulate the activity of G12C mutant K-Ras protein and methods of treatment of disorders mediated by G12C mutant K-Ras protein.

  G12C突变K-Ras蛋白的不可逆抑制剂已提供。还公开了调节G12C突变K-Ras蛋白活性的方法以及通过G12C突变K-Ras蛋白介导的疾病治疗方法。
• 制备盐酸替扎尼定的绿色新工艺
  申请人：常州亚邦制药有限公司

  公开号：CN102140095A

  公开（公告）日：2011-08-03

  本发明涉及一种医药原料药盐酸替扎尼定的制备新工艺。该工艺以4-氯-2-硝基苯胺为原料，经过催化加氢还原、环合、硝化、催化加氢还原、缩合、成盐六步得到盐酸替扎尼定。该工艺不仅后处理简单、易操作，且极大地降低了对环境的污染和对设备的腐蚀，降低了生产成本，更加适合工业化生产。
• Method and Means Relating to Multiple Herbicide Resistance in Plants
  申请人：Cummins Ian

  公开号：US20100184601A1

  公开（公告）日：2010-07-22

  Methods for overcoming multiple herbicide resistance (MHR) in plants using inhibitors of GST suppression of Formula (I), novel chemical inhibitors of Formula (Ia), compositions comprising compounds of Formula (I), and uses and methods relating thereto.

  使用公式(I)的GST抑制剂、公式(Ia)的新型化学抑制剂、含有公式(I)化合物的组合物以及与之相关的用途和方法，来克服植物中的多重除草剂抗性(MHR)的方法。
• Stabilized aqueous polymer compositions and their use
  申请人：Allessa Chemie GmbH

  公开号：EP2166060A1

  公开（公告）日：2010-03-24

  Disclosed are stabilized aqueous polymer compositions containing A) a stabilizing amount of at least a first stabilizer comprising a heterocyclic condensed ringsystem containing nitrogen and sulphur ring heteroatoms with the exception of a phenothiazine compound or containing a stabilizing amount of said first stabilizer with a phenothiazine compound; and B) at least one polymer comprising groups which are capable of complex formation with ions. The aqueous polymer compositions are stabilized against thermal or other degradation processes of the polymer by addition of component A) to allow their use even under harsh conditions.

  所公开的稳定水性聚合物组合物含有 A) 至少含有第一种稳定剂的稳定剂，该稳定剂包含含有氮和硫环杂原子（吩噻嗪化合物除外）的杂环缩合环体系，或含有第一种稳定剂与吩噻嗪化合物的稳定剂；以及 B) 至少一种聚合物，含有能与离子形成络合物的基团。 水性聚合物组合物通过添加 A) 组分来稳定聚合物的热降解或其他降解过程，使其即使在苛刻的条件下也能使用。
• 适合工业放大的医药中间体的制备方法
  申请人：四川科瑞德制药股份有限公司

  公开号：CN114249703A

  公开（公告）日：2022-03-29

  本发明公开了一种适合工业放大的医药中间体的制备方法，具体是5‑氯‑4‑氨基‑2,1,3‑苯并噻二唑的制备方法，包括以下步骤：以5‑氯‑4‑硝基‑2,1,3‑苯并噻二唑为原料，在金属还原剂、电解质、活性炭以及溶剂存在下，经硝基还原反应，制得5‑氯‑4‑氨基‑2,1,3‑苯并噻二唑。本发明方法同时具有较高的产率和纯度，并且操作简便、生产效率高、安全，适用于工业化大生产。