苯并呋咱-5-碳酰氯 | 126147-86-2

• 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: 苯并呋咱-5-碳酰氯
• 中文别名: 2,1,3-苯噁二唑-5-羰酰氯；苯并呋喃-5-碳酰氯；2,1,3-苯并二唑-5-碳酰氯
• 英文名称: benzofurazan-5-carbonyl chloride
• 英文别名: benzo[c][1,2,5]oxadiazole-5-carbonyl chloride；[2,1,3]-benzoxadiazole-5-carbonylchloride；2,1,3-benzoxadiazole-5-carbonyl chloride；benzofurazan 5-carbonyl chloride；5-benzofurazancarbonyl chloride
• CAS: 126147-86-2
• 化学式: C₇H₃ClN₂O₂
• mdl: MFCD00276978
• 分子量: 182.566
• InChiKey: ODCMBRSQNVPDOK-UHFFFAOYSA-N

物化性质

• 熔点：
  55 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 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：
  56
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R34
• 危险品运输编号：
  3261
• 海关编码：
  2934999090
• 安全说明：
  S26,S36/37/39

SDS

Name:	2 1 3-Benzoxadiazole-5-carbonyl chloride 95+% Material Safety Data Sheet
Synonym:	Benzofurazan-5-carbonyl chlorid
CAS:	126147-86-2

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

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
126147-86-2	2,1,3-Benzoxadiazole-5-carbonyl chlori	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. Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store under nitrogen.

---

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# 126147-86-2: 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.

---

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: Not available.
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: C7H3ClN2O2
Molecular Weight: 183

---

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, reducing agents, acids, bases, alcohols.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 126147-86-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,1,3-Benzoxadiazole-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# 126147-86-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 126147-86-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 126147-86-2 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：

  苯并呋咱-5-碳酰氯 在 氨 、 三乙胺 、 三氟乙酸酐 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 反应 4.5h， 生成 苯并呋扎-5-甲腈
  参考文献：
  名称：

  Synthesis of carboxyimidamide-substituted benzo[c][1,2,5]oxadiazoles and their analogs, and evaluation of biological activity against Leishmania donovani

  摘要：

  25个衍生物的抗利什曼病评估显示出有希望的抑制活性。

  DOI：

  10.1039/c5md00119f
• 作为产物：
  描述：

  苯并氧化呋咱-5-羧酸 在 氯化亚砜 、 亚磷酸三乙酯 作用下， 以 乙醇 为溶剂， 反应 21.0h， 生成 苯并呋咱-5-碳酰氯
  参考文献：
  名称：

  Synthesis of carboxyimidamide-substituted benzo[c][1,2,5]oxadiazoles and their analogs, and evaluation of biological activity against Leishmania donovani

  摘要：

  25个衍生物的抗利什曼病评估显示出有希望的抑制活性。

  DOI：

  10.1039/c5md00119f

文献信息

• [EN] KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME<br/>[FR] INHIBITEURS DE KINASES ET PROCÉDÉ DE TRAITEMENT DU CANCER UTILISANT CEUX-CI
  申请人：UNIV HEALTH NETWORK

  公开号：WO2011123937A1

  公开（公告）日：2011-10-13

  The present teachings provide a compound represented by Strutural Formula (I): or a pharmaceutically acceptable salt thereof. Also described are a pharmaceutical composition and method of use thereof.

  本教学提供了一种由结构式(I)表示的化合物，或其药用可接受的盐。还描述了一种药物组合物及其使用方法。
• [EN] TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS<br/>[FR] LIGANDS DU RÉCEPTEUR TRP-M8 ET LEUR UTILISATION DANS DES TRAITEMENTS
  申请人：AMGEN INC

  公开号：WO2009073203A1

  公开（公告）日：2009-06-11

  Tetrahydroisoquinoline compounds of formula (I), and compositions containing them, for the treatment of acute, inflammatory and neurophatic pain, dental pain, general headache, migraine, cluster headache, mixed-vascular and non-vascular syndromes, tension headache, general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, inflammatory pain and associated hyperalgesia and allodynia, neurophatic pain and associated hyperalgesia and allodynia, diabetic neuropathy pain, causalgia, sympathetically maintened pain, deafferentation syndromes, asthma, epithelial tissue damage or dysfunction, herpes simplex, disturbances of visceral motility at respiratory, genitourinary, gastrointestinal or vascular regions, wounds, burns, allergic skin reactions, pruritus, vitiligo, general gastrointestinal disorders, gastric ulceration, duodenal ulcers, diarrhea, gastric lesions induced by necrotising agents, hair growth, vasomotor or allergic rhinitis, bronchial disorders or bladder disorders.

  公式（I）的四氢异喹啉化合物及含有它们的组合物，用于治疗急性、炎症性和神经性疼痛、牙痛、普通头痛、偏头痛、集群头痛、混合血管和非血管综合征、紧张性头痛、一般炎症、关节炎、风湿性疾病、骨关节炎、炎症性肠道疾病、炎症性眼部疾病、炎症性或不稳定的膀胱疾病、牛皮癣、带有炎症成分的皮肤疾病、慢性炎症症状、炎症性疼痛及相关的过敏性疼痛和触痛、神经性疼痛及相关的过敏性疼痛和触痛、糖尿病性神经病痛、烧灼性疼痛、交感神经维持性疼痛、感觉缺失综合征、哮喘、上皮组织损伤或功能障碍、单纯疱疹、呼吸、泌尿、消化或血管区域内脏运动障碍、伤口、烧伤、过敏性皮肤反应、瘙痒、白癜风、一般胃肠道疾病、胃溃疡、十二指肠溃疡、腹泻、坏死性剂引起的胃病变、毛发生长、血管运动性或过敏性鼻炎、支气管疾病或膀胱疾病。
• 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( )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。
• Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors
  作者：Curt D. Haffner、Adam K. Charnley、Christopher J. Aquino、Linda Casillas、Máire A. Convery、Julie A. Cox、Mark A. Elban、Nicole C. Goodwin、Peter J. Gough、Pamela A. Haile、Terry V. Hughes、Beth Knapp-Reed、Constantine Kreatsoulas、Ami S. Lakdawala、Huijie Li、Yiqian Lian、David Lipshutz、John F. Mehlmann、Michael Ouellette、Joseph Romano、Lisa Shewchuk、Arthur Shu、Bartholomew J. Votta、Huiqiang Zhou、John Bertin、Robert W. Marquis

  DOI：10.1021/acsmedchemlett.9b00141

  日期：2019.11.14

  Herein we report the discovery of pyrazolocarboxamides as novel, potent, and kinase selective inhibitors of receptor interacting protein 2 kinase (RIP2). Fragment based screening and design principles led to the identification of the inhibitor series, and X-ray crystallography was used to inform key structural changes. Through key substitutions about the N1 and C5 N positions on the pyrazole ring significant

  在这里，我们报告吡唑并羧酰胺作为受体相互作用蛋白2激酶（RIP2）的新型，有效和激酶选择性抑制剂的发现。基于片段的筛选和设计原理导致了抑制剂系列的鉴定，并使用X射线晶体学分析了关键的结构变化。通过在吡唑环上的N1和C5 N位置进行关键取代，可以实现显着的激酶选择性和效力。桥连的双环吡唑并羧酰胺11代表RIP2的选择性和有效抑制剂，将允许更详细地研究RIP2抑制作为自身炎症性疾病的治疗靶标。
• [EN] BENZAMIDE TRPA1 ANTAGONISTS<br/>[FR] BENZAMIDES ANTAGONISTES DE TRPA1
  申请人：ACTURUM LIFE SCIENCE AB

  公开号：WO2014184235A1

  公开（公告）日：2014-11-20

  Compounds of formula I, pharmaceutically acceptable salts thereof, diastereomers, enantiomers, or mixtures thereof: wherein R, X, Y, Z, n and A are as defined in the specification, as well as pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  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。