5-羟基苯并呋喃 | 768-09-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶二唑类
• 中文名称: 5-羟基苯并呋喃
• 中文别名: 2,1,3-苯并二唑-5-醇；5-羟基苯并呋咱
• 英文名称: 5-hydroxybenzofurazan
• 英文别名: benzo[c][1,2,5]oxadiazol-5-ol；benzo[2,1,3]oxadiazol-5-ol；5-Hydroxybenzofurazan；2,1,3-benzoxadiazol-5-ol
• CAS: 768-09-2
• 化学式: C₆H₄N₂O₂
• mdl: MFCD00173849
• 分子量: 136.11
• InChiKey: YTXFOSVCYYHADT-UHFFFAOYSA-N

物化性质

• 熔点：
  103 °C
• 沸点：
  278.2±32.0 °C(Predicted)
• 密度：
  1.492±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 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：
  59.2
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36,S37,S39
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090

SDS

Name:	2 1 3-Benzoxadiazol-5-ol 97% Material Safety Data Sheet
Synonym:	5-Hydroxybenzofuraza
CAS:	768-09-2

Section 1 - Chemical Product MSDS Name:2 1 3-Benzoxadiazol-5-ol 97% Material Safety Data Sheet
Synonym:5-Hydroxybenzofuraza

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
768-09-2	2,1,3-Benzoxadiazol-5-ol		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.

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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:
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# 768-09-2: 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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 104 - 107 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: C6H4N2O2
Molecular Weight: 136

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 768-09-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,1,3-Benzoxadiazol-5-ol - 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: 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# 768-09-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 768-09-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 768-09-2 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-羟基苯并呋喃 在 sodium nitrite 作用下， 生成 benzo[1,2,5]oxadiazole-4,5-dione 4-(E)-oxime
  参考文献：
  名称：

  苯并呋喃二酮单肟的相互转化

  摘要：

  描述了5-羟基-4-亚硝基和7-羟基-4-亚硝基苯并呋喃的制备以及它们的6-氯和甲基衍生物，并确定了这些化合物的肟结构。苯并呋喃zan-4,5-二酮-4-一肟和苯并呋喃-4,7-二酮-4-一肟的NMR光谱显示了溶液中两种一元酚4,5-和4,7-衍生物相互转化的证据分别在有机溶剂和碱性水溶液中盛行。苯并呋喃-4,5-和4,7-二酮-4-一肟的氯和甲基衍生物在有机溶剂中显示出相似的相互转化。

  DOI：

  10.1016/s0040-4020(01)97074-7
• 作为产物：
  描述：

  5-甲氧基苯并呋喃 在 三溴化硼 作用下， 以 1,2-二氯乙烷 为溶剂， 以48 %的产率得到5-羟基苯并呋喃
  参考文献：
  名称：

  [EN] TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS
  [FR] COMPOSÉS PYRIMIDINES FUSIONNÉS TRICYCLIQUES DESTINÉS À ÊTRE UTILISÉS EN TANT QU'INHIBITEURS DE HER2

  摘要：

  Provided herein are tricyclic fused pyrimidine compounds, and pharmaceutically acceptable salts thereof. Methods of use, and pharmaceutical compositions of these compounds are disclosed.

  公开号：

  WO2023015240A1

文献信息

• Nitrogen-containing spirocycles
  申请人：Merck & Co., Inc.

  公开号：US05206240A1

  公开（公告）日：1993-04-27

  Spirocycles of general structural formula: ##STR1## are Class III antiarrhythmic agents.

  通用结构式为：##STR1## 的螺环化合物是III类抗心律失常药物。
• Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes
  申请人：——

  公开号：US20030186989A1

  公开（公告）日：2003-10-02

  Compounds useful as inhibitors of PDE4 in the treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructive pulmonary disease, of Formula (1.0.0): 1 wherein R 5 and R 6 are taken together to form a moiety of partial Formulas (1.1.1) through (1.1.5): 2 or a pharmaceutically acceptable salt thereof.

  在治疗由嗜酸性粒细胞的激活和脱颗粒调节的疾病，特别是哮喘、慢性支气管炎和慢性阻塞性肺病中作为PDE4抑制剂有用的化合物，其化学式为（1.0.0）： 其中R5和R6一起取代形成部分化学式（1.1.1）至（1.1.5）的基团， 或其药用可接受的盐。
• [EN] N-ALKYNYL-2- (SUBSTITUTED ARYLOXY) ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES<br/>[FR] DERIVES DE N-ALKYNYLE-2- (SUBSTITUE ARYLOXY) ALKYLTHIOAMIDE COMME FONGICIDES
  申请人：SYNGENTA LTD

  公开号：WO2004108663A1

  公开（公告）日：2004-12-16

  Fungicidal compounds of the general formula (1), wherein Ar is a group of the formula (A), (B1), (B2) or (C), or Ar is a 5- or 6-linked group of the formula (D1) or (D2); and R1, R2, R3, R4, R5, n, A1, A2, A3, A4, A5, Ka, Kb, L, M, V, W, X,Y and Z have the definitions given in claim 1.

  一般公式（1）中的杀菌化合物，其中Ar是公式（A）、（B1）、（B2）或（C）的组，或Ar是5-或6-连接的公式（D1）或（D2）的组；且R1、R2、R3、R4、R5、n、A1、A2、A3、A4、A5、Ka、Kb、L、M、V、W、X、Y和Z具有权利要求1中给出的定义。
• [EN] MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR<br/>[FR] MODULATEURS DU RÉGULATEUR DE LA CONDUCTANCE TRANSMEMBRANAIRE DE LA FIBROSE KYSTIQUE
  申请人：VERTEX PHARMA

  公开号：WO2017173274A1

  公开（公告）日：2017-10-05

  The present disclosure features a compound of formula I: or a pharmaceutically acceptable salt thereof, where R1, R2, W, X, Z, n, p, and Rings A and B are defined herein, for the treatment of CFTR mediated diseases, such as cystic fibrosis. The present disclosure also features pharmaceutical compositions, method of treating, and kits thereof.

  本公开涉及一种具有化学式I的化合物：或其药用可接受的盐，其中R1、R2、W、X、Z、n、p以及环A和环B在此处被定义，用于治疗CFTR介导的疾病，如囊性纤维化。本公开还涉及药物组合物、治疗方法以及相关工具包。
• Benzofuran compounds as class III antiarrhythmic agents
  申请人：Merck & Co., Inc.

  公开号：US05112824A1

  公开（公告）日：1992-05-12

  Compounds of structural formula: ##STR1## wherein R' is hydrogen or an aromatic ring system, and Q is a substituted nitrogen or a nitrogen containing heterocycle, X and Y are bridging groups and p is 0 or 1, and E is --S-- or --O--, are Class III antiarrhythmic agents.

  结构式化合物：##STR1## 其中R'是氢或芳香环系统，Q是取代氮或含氮杂环，X和Y是桥接基团，p为0或1，E为--S--或--O--，为III类抗心律失常药物。