1,3-苯并噻唑-6-甲酰氯 | 55439-73-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 1,3-苯并噻唑-6-甲酰氯
• 英文名称: 1,3-benzothiazole-6-carboxylic acid chloride
• 英文别名: benzo[d]thiazole-6-carbonyl chloride；benzothiazole-6-carbonyl chloride；Benzothiazol-6-carbonylchlorid；1,3-Benzothiazole-6-carbonyl chloride
• CAS: 55439-73-1
• 化学式: C₈H₄ClNOS
• mdl: MFCD04972624
• 分子量: 197.645
• InChiKey: NGQVUZRWHRIRFX-UHFFFAOYSA-N

物化性质

• 沸点：
  316.1±15.0 °C(Predicted)
• 密度：
  1.489±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 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：
  58.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R22,R34
• 海关编码：
  2934999090

SDS

Name:	1 3-Benzothiazole-6-carbonyl chloride 97% Material Safety Data Sheet
Synonym:
CAS:	55439-73-1

Section 1 - Chemical Product MSDS Name:1 3-Benzothiazole-6-carbonyl chloride 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
55439-73-1	1,3-Benzothiazole-6-carbonyl chloride	97	unlisted

Hazard Symbols: C
Risk Phrases: 22 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed. 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.

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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.

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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 foam, dry chemical, or carbon dioxide.

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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:
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 an inert atmosphere.

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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# 55439-73-1: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 106.6 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: C8H4ClNOS
Molecular Weight: 197.65

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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, 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# 55439-73-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,3-Benzothiazole-6-carbonyl chloride - 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
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

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 22 Harmful if swallowed.
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# 55439-73-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 55439-73-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 55439-73-1 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：

  1,3-苯并噻唑-6-甲酰氯 在 乙醇 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 25.33h， 生成 3-[2-(3-benzothiazol-6-yl-3-oxopropyl)-[1,3]dioxolan-2-yl]propionic acid ethyl ester
  参考文献：
  名称：

  Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents

  摘要：

  本发明涉及S-亚硝基谷胱甘肽还原酶（GSNOR）的抑制剂，包括这种GSNOR抑制剂的药物组合物，以及制备和使用这些药物的方法。

  公开号：

  US09138427B2
• 作为产物：
  描述：

  6-甲基-苯并噻唑 在 potassium permanganate 、 氯化亚砜 作用下， 生成 1,3-苯并噻唑-6-甲酰氯
  参考文献：
  名称：

  Fridman, Zhurnal Obshchei Khimii, 1950, vol. 20, p. 1191,1195; engl. Ausg. S. 1235, 1239

  摘要：

  DOI：

文献信息

• [EN] BENZOTHIAZOLE CARBOXAMIDES AS FUNGICIDES<br/>[FR] BENZOTHIAZOLE CARBOXAMIDES EN TANT QUE FONGICIDES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2009157527A1

  公开（公告）日：2009-12-30

  An amide compound of the formula (I): (wherein, R1 represents a hydrogen atom or fluorine atom and R2 represents a C1 to C6 linear alkyl group or linear (C1-C2 alkoxy)C2-C5 alkyl group.) has an excellent controlling effect on a plant disease.

  化合物的结构式（I）如下：（其中，R1代表氢原子或氟原子，R2代表C1到C6的直链烷基或直链（C1-C2烷氧基）C2-C5烷基。）对植物病害有出色的控制效果。
• [EN] AMIDE COMPOUND AND PLANT DISEASE CONTROL USING THE SAME<br/>[FR] COMPOSÉ D'AMIDE ET AGENT D'ÉLIMINATION D'UNE MALADIE DES PLANTES L'UTILISANT
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2009057668A1

  公开（公告）日：2009-05-07

  ABSTRACT The present invention is intended to provide a compound having an excellent controlling effect on plant diseases. An amide compound represented by the formula (1): wherein groups represented by Q, A1, G1, X1, X2, X3 and Z1 have the same meaning as defined in the description, has an excellent controlling effect on plant diseases.

  摘要 本发明旨在提供一种对植物病害具有优异控制效果的化合物。由式（1）表示的酰胺化合物：其中由Q、A1、G1、X1、X2、X3和Z1表示的基团具有与描述中定义相同的含义，对植物病害具有优异的控制效果。
• Pyrrolobenzodiazepine carboxyamide vasopressin agonists
  申请人：American Home Products

  公开号：US06344451B1

  公开（公告）日：2002-02-05

  The present invention provides compounds of the formula: wherein: X, Y and Z are independently selected from O, S, CH, CH2, N, or NR4; W is moiety selected from (CH2)n; n=1-2; R1, R2 are independently, hydrogen, straight chain alkyl (C1-C6), branched chain alkyl (C3-C7), cycloalkyl (C3-C7), alkoxyalkyl (C2-C7), halogen, straight or branched chain alkoxy (C1-C6), hydroxy, CF3, or perfluoroalkyl (C2-C6); R3 is hydrogen or a straight chain alkyl group (C1-C6), branched chain alkyl (C3-C7), cycloalkyl (C3-C7), alkoxyalkyl (C2-C7), or hydroxyalkyl (C1-C6); R4 is selected from hydrogen, or (lower alkyl (C1-C6); and R5 is selected from halogen or hydrogen; or a pharmaceutically acceptable salt thereof: as well as methods and pharmaceutical compositions utilizing these compounds for the treatment of disorder which may be remedied or alleviated by vasopressin agonist activity, including diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, bleeding and coagulation disorders, or temporary delay of urination.

  本发明提供了以下结构的化合物： 其中： X、Y和Z分别选自O、S、CH、CH2、N或NR4； W是从(CH2)n选择的基团； n=1-2； R1、R2分别独立地为氢、直链烷基（C1-C6）、支链烷基（C3-C7）、环烷基（C3-C7）、烷氧基烷基（C2-C7）、卤素、直链或支链烷氧基（C1-C6）、羟基、CF3或全氟烷基（C2-C6）； R3为氢或直链烷基（C1-C6）、支链烷基（C3-C7）、环烷基（C3-C7）、烷氧基烷基（C2-C7）或羟基烷基（C1-C6）； R4选自氢或（较低烷基（C1-C6））；和 R5选自卤素或氢； 或其药学上可接受的盐：以及利用这些化合物治疗可能通过抗利尿素活性得到缓解或减轻的疾病的方法和药物组合物，包括尿崩症、夜尿症、夜尿、尿失禁、出血和凝血障碍或暂时延迟排尿。
• Heterocyclic N-acetonylbenzamides and their use as fungicides
  申请人：Dow AgroSciences LLC

  公开号：EP1229027A1

  公开（公告）日：2002-08-07

  Certain N-acetonylbenzamides and their use as fungicides are disclosed. The N-acetonylbenzamides disclosed contain a heterocyclic ring fused to an aromatic ring. These compounds are particularly effective against phytopathogenic fungi of the class Oomycetes. Also disclosed is a method for controlling phytopathogenic fungi by applying one or more of the heterocyclic N-acetonylbenzamides of the present invention, optionally with one or more additional fungicidal compounds.

  本文披露了某些N-乙酰苯甲酰胺及其作为杀菌剂的用途。所披露的N-乙酰苯甲酰胺含有与芳香环融合的杂环环。这些化合物特别有效地针对卵菌纲植物病原真菌。同时还披露了一种通过施用本发明的一种或多种杂环N-乙酰苯甲酰胺来控制植物病原真菌的方法，可选地与一种或多种额外的杀菌化合物一起使用。
• METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS
  申请人：Duke University

  公开号：US20140371194A1

  公开（公告）日：2014-12-18

  This invention relates generally to the discovery of a method of inhibiting, preventing or treating bacterial infections. The invention also relates to a method of inhibiting bacterial capsule biogenesis.

  这项发明通常涉及发现一种抑制、预防或治疗细菌感染的方法。该发明还涉及一种抑制细菌胶囊生物合成的方法。