1,2,3-苯并噻二唑-5-羧酸甲酯 | 23616-15-1

• 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-羧酸甲酯
• 英文名称: 5-(Carbomethoxy)-1,2,3-benzothiadiazole
• 英文别名: methyl benzo[d][1,2,3]thiadiazole-5-carboxylate；5-Carbomethoxy-1,2,3-benzothiadiazol；5-Methoxycarbonyl-1,2,3-benzothiadiazol；methyl benzo[1,2,3]thiadiazole-5-carboxylate；Methyl 1,2,3-benzothiadiazole-5-carboxylate
• CAS: 23616-15-1
• 化学式: C₈H₆N₂O₂S
• mdl: MFCD01566550
• 分子量: 194.214
• InChiKey: JCRFJMHWEAYQAA-UHFFFAOYSA-N

物化性质

• 熔点：
  118-120
• 沸点：
  304.4±34.0 °C(Predicted)
• 密度：
  1.413±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi

SDS

Name:	Methyl 1 2 3-benzothiadiazole-5-carboxylate 97% Material Safety Data Sheet
Synonym:
CAS:	23616-15-1

Section 1 - Chemical Product MSDS Name:Methyl 1 2 3-benzothiadiazole-5-carboxylate 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
23616-15-1	Methyl 1,2,3-benzothiadiazole-5-carbox	97%	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
Notes to Physician:
Treat symptomatically and supportively.

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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.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 23616-15-1: 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: light pink
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 118 - 120 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: C8H6N2O2S
Molecular Weight: 194

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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.
Hazardous Decomposition Products:
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# 23616-15-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 1,2,3-benzothiadiazole-5-carboxylate - 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.

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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.
WGK (Water Danger/Protection)
CAS# 23616-15-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 23616-15-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 23616-15-1 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：

  1,2,3-苯并噻二唑-5-羧酸甲酯 在 lithium hydroxide monohydrate 、 水 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以1.82 g的产率得到1,2,3-苯并噻二唑-5-羧酸
  参考文献：
  名称：

  [EN] INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION
  [FR] INHIBITEURS DE LA RÉPLICATION DU VIRUS D'IMMUNODÉFICIENCE HUMAINE

  摘要：

  公式I-VI的化合物，包括其药用可接受的盐，以及用于治疗人类免疫缺陷病毒（HIV）感染的组合物和方法。公式I如下所示：公式（i）

  公开号：

  WO2016172425A1
• 作为产物：
  描述：

  methyl 4-[[4-(methoxycarbonyl)-2-nitrophenyl]disulfanyl]-3-nitrobenzoate 在 palladium on activated charcoal 盐酸 、 氢气 、 sodium nitrite 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 1,2,3-苯并噻二唑-5-羧酸甲酯
  参考文献：
  名称：

  Approach to the synthesis of symmetrically substituted thianthrenes

  摘要：

  DOI：

  10.1021/jo00337a035

文献信息

• Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity
  申请人：——

  公开号：US20040038998A1

  公开（公告）日：2004-02-26

  Aminopiperidine derivatives of formula (I) and pharmaceutically acceptable derivatives thereof useful in methods of treatment of bacterial infections in mammals, particularly in man. 1

  氨基哌啶衍生物的公式(I)及其药物可接受的衍生物，用于治疗哺乳动物，特别是人类的细菌感染。
• Aminopiperidine compounds, process for their preparation, and pharmaceutical compositions containing them
  申请人：Daines A Robert

  公开号：US20050085494A1

  公开（公告）日：2005-04-21

  Aminopiperidine derivatives and pharmaceutically acceptable derivatives thereof useful in methods of treatment of bacterial infections in mammals, particularly in man.

  氨基哌啶衍生物及其在哺乳动物中，特别是人类中用于治疗细菌感染的药物可接受衍生物的方法中有用。
• Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity
  申请人：Davies David Thomas

  公开号：US20060014749A1

  公开（公告）日：2006-01-19

  Aminopiperidine derivatives of formula (I) and pharmaceutically acceptable derivatives thereof useful in methods of treatment of bacterial infections in mammals, particularly in man.

  公式（I）的氨基哌啶衍生物及其药学上可接受的衍生物，可用于哺乳动物，尤其是人类的细菌感染治疗方法。
• [EN] 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA<br/>[FR] INHIBITEURS DE LA 11-BETA-HYDROXYSTEROIDE DESHYDROGENASE 1 UTILISABLES POUR LE TRAITEMENT DU DIABETE, DE L'OBESITE ET DE LA DYSLIPIDEMIE
  申请人：——

  公开号：WO2003104207A3

  公开（公告）日：2004-03-25
• MONTEVECCHI, P. C.;TUNDO, A., J. ORG. CHEM., 1981, 46, N 24, 4998-4999
  作者：MONTEVECCHI, P. C.、TUNDO, A.

  DOI：——

  日期：——