1,2,3-苯并噻二唑-5-碳酰氯 | 321309-32-4

• 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: 1,2,3-苯并噻二唑-5-碳酰氯
• 中文别名: 1,2,3-苯并噻二唑-5-甲酰氯
• 英文名称: benzo[d][1,2,3]thiadiazole-5-carbonyl chloride
• 英文别名: 1,2,3-Benzothiadiazole-5-carbonyl chloride
• CAS: 321309-32-4
• 化学式: C₇H₃ClN₂OS
• mdl: MFCD01764004
• 分子量: 198.633
• InChiKey: VOSTUOLSYXVSND-UHFFFAOYSA-N

物化性质

• 熔点：
  94-98°C
• 沸点：
  311.0±34.0 °C(Predicted)
• 密度：
  1.577±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2934999090

SDS

Name:	1 2 3-Benzothiadiazole-5-carbonyl chloride 95+% Material Safety Data Sheet
Synonym:
CAS:	321309-32-4

Section 1 - Chemical Product MSDS Name:1 2 3-Benzothiadiazole-5-carbonyl chloride 95+% Material Safety Data Sheet
Synonym:

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
321309-32-4	1,2,3-Benzothiadiazole-5-carbonyl chlo	>95	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.

---

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# 321309-32-4: 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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 94 - 98 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: C7H3ClN2OS
Molecular Weight: 199

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
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# 321309-32-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,2,3-Benzothiadiazole-5-carbonyl chloride - 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# 321309-32-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 321309-32-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 321309-32-4 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：

  4-异丙基-2-苯基-2-噁唑烷-5-酮 、 1,2,3-苯并噻二唑-5-碳酰氯 在 三乙胺 、 magnesium chloride 、 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 1.17h， 以16%的产率得到N-(1-(benzo[d][1,2,3]thiadiazol-5-yl)-3-methyl-1-oxobutan-2-yl)benzamide
  参考文献：
  名称：

  [EN] BENZAMIDE TRPA1 ANTAGONISTS
  [FR] BENZAMIDES ANTAGONISTES DE TRPA1

  摘要：

  式I的化合物，其药用盐，非对映体，对映体或其混合物：其中R、X、Y、Z、n和A的定义如规范中所述，以及包括这些化合物的药物组合物已经准备好。它们在治疗中很有用，特别是在疼痛管理中。

  公开号：

  WO2014184235A1
• 作为产物：
  描述：

  1,2,3-苯并噻二唑-5-羧酸 在 氯化亚砜 作用下， 反应 3.0h， 生成 1,2,3-苯并噻二唑-5-碳酰氯
  参考文献：
  名称：

  [EN] SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA
  [FR] INHIBITEURS DE SOX11 POUR TRAITER UN LYMPHOME À CELLULES DU MANTEAU

  摘要：

  公开的是一些化合物，它们是SOX11的化学抑制剂。所公开的化合物在治疗多种癌症方面是有用的。

  公开号：

  WO2021257544A1

文献信息

• [EN] SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS<br/>[FR] DERIVES D'ACETAMIDE SULFONYLQUINOXALONE ET COMPOSES ASSOCIES EN TANT QU'ANTAGONISTES DE LA BRADYKININE
  申请人：ELAN PHARM INC

  公开号：WO2003093245A1

  公开（公告）日：2003-11-13

  Disclosed are sulfonylquinoxalone acetamide derivatives useful as bradykinin antagonists to relieve symptons, associated with bradykinin including pain, inflammation, bronchoconstriction, cerebral edema, etc.

  揭示了作为布雷金肽拮抗剂有用的磺酰基喹诺酮乙酰胺衍生物，可用于缓解与布雷金肽相关的症状，包括疼痛、炎症、支气管收缩、脑水肿等。
• Azonafide Derivatives, Methods for Their Production and Pharmaceutical Compositions Therefrom
  申请人：Van Quaquebeke Eric

  公开号：US20080292585A1

  公开（公告）日：2008-11-27

  Azonafide derivatives are obtained by reacting azonafide with aldehydes, acyl halides, thioacyl halides, monoisocyanates, isothiocyanates, sulfonyl halides, monohalogenoalkanes, monohalogenoalkenes or monohalogenoalkynes, and are useful as active ingredients of pharmaceutical compositions for the prevention and treatment of cell proliferative disorders, in particular several forms of Cancer.

  Azonafide衍生物是通过将azonafide与醛类、酰卤、硫酰卤、单异氰酸酯、异硫氰酸酯、磺酰卤、单卤代烷烃、单卤代烯烃或单卤代炔烃反应得到的，并且它们可用作制药组合物的活性成分，用于预防和治疗细胞增殖性疾病，特别是几种癌症。
• COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM
  申请人：VELICELEBI GONUL

  公开号：US20110212970A1

  公开（公告）日：2011-09-01

  Described herein are compounds and pharmaceutical compositions containing such compounds, which modulate the activity of store-operated calcium (SOC) channels. Also described herein are methods of using such SOC channel modulators, alone and in combination with other compounds, for treating diseases or conditions that would benefit from inhibition of SOC channel activity.

  本文介绍了一些化合物和含有这些化合物的药物组合物，它们可以调节储存操作钙（SOC）通道的活性。本文还介绍了使用这些SOC通道调节剂的方法，单独或与其他化合物结合，用于治疗需要抑制SOC通道活性的疾病或情况。
• Compounds that modulate intracellular calcium
  申请人：Velicelebi Gonul

  公开号：US20130245025A1

  公开（公告）日：2013-09-19

  Described herein are compounds and pharmaceutical compositions containing such compounds, which modulate the activity of store-operated calcium (SOC) channels. Also described herein are methods of using such SOC channel modulators, alone and in combination with other compounds, for treating diseases or conditions that would benefit from inhibition of SOC channel activity.

  本文描述了包含这些化合物的药物组合物，这些化合物调节贮存操作钙离子（SOC）通道的活性。本文还描述了使用这种SOC通道调节剂的方法，单独或与其他化合物联合使用，用于治疗需要抑制SOC通道活性的疾病或病症。
• SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS
  申请人：Elan Pharmaceuticals, Inc.

  公开号：EP1501807A1

  公开（公告）日：2005-02-02