Benzoxazole 苯并恶唑

CAS 273-53-0 MFCD00005765

化学结构图

273-53-0
SMILES: c1ccc2ocnc2c1

化学属性

Mol. FormulaC7H5NO
Mol. Weight119.12
Density1.175
Boiling Point182.5°C at 760 mmHg
Melting Point27-30°C
Flash Point58°C
TSCAYes
Solubility不溶

别名和识别编码

Chemical NameBenzoxazole
CAS Number273-53-0
Alfabeta NameBENZOXAZOLE
MDL NumberMFCD00005765
Synonym Benzoxazole {LY} Benzoxazole {} {LY} Benzoxazole {} {} {LY} Benzoxazole {} {} {} {LY} Benzoxazole {} {} {} {} {LY} Benzoxazole {} {} {} {} {} {LY} Benzoxazole {} {} {} {} {} {} {LY} Benzoxazole {} {} {} {} {} {} {} {LY} Benzoxazole {} {} {} {} {} {} {} {} {LY} Benzoxazole {} {} {} {} {} {} {} {} {} {LY} Benzoxazole {} {} {} {} {} {} {} {} {} {} {LY} Benzoxazole {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoxazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number205-988-9
Beilstein Registry Number109467
PubChem Substance ID87563294
Reaxys-RN109467
Chemical Name Translation苯并恶唑
Wiswesser Line NotationT56 BN DOJ
LabNetwork Molecule IDLN00173337
InChIInChI=1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
Canonical SMILESC1=CC=CC2=C1N=CO2
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Greener Alternative Products, Heterocyclic Building Blocks, Oxazoles, Re-engineered Products
  • {uni_hamburg} no charge; oxygen heterocycle; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Oxazoles

相关文献及参考

  • Short: III/39
  • Benzoxazoles, previously thought to be resistant to borohydride reduction, undergo reductive cleavage in the presence of a catalytic quantity of acetic acid: Synth. Commun., 20, 175 (1990):
  • Short: IV/8A
  • Short: III/38B

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
Risk Statements
  • R11 Highly flammable 非常易燃
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312
  • P301+P312+P330
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSDM4375000
Packing GroupIII
UN Number 1325 UN1325
Hazard Codes 4.1 Xn
Hazard Class4.1
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MDCHAG Medicinal Chemistry: A Series of Monographs.  (Academic Press, Inc.,
   1 E. First St., Duluth, MN 55802)  V.1-    1963-  Volume(issue)/page/year:
   4(1),336,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 179 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 105,486,1952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 750 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MDCHAG Medicinal Chemistry: A Series of Monographs.  (Academic Press, Inc.,
   1 E. First St., Duluth, MN 55802)  V.1-    1963-  Volume(issue)/page/year:
   4(1),336,1964

其他信息

  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物烟雾
  • 毒性分级:中毒
  • TCI Shanghai:苯并恶唑 Benzoxazole,>;98.0%(GC)(273-53-0)
  • 图谱信息:苯并恶唑(273-53-0)红外图谱(IR3) 苯并恶唑(273-53-0)核磁图( 1 HNMR) 苯并恶唑(273-53-0)红外图谱(IR2) 苯并恶唑(273-53-0)核磁图( 13 CNMR) 苯并恶唑(273-53-0)质谱(MS) 苯并恶唑(273-53-0)红外图谱(IR1)
  • Acros Organics:苯并恶唑 Benzoxazole, 99+%(273-53-0)
  • MSDS 信息:Benzoxazole(273-53-0).msds
  • 储运特性:通风低温干燥
  • Sigma Aldrich:273-53-0(sigmaaldrich)
  • MOL 文件:273-53-0.mol
  • 苯并恶唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 L0203202 苯并唑，97％ 100g 1414元 2011/04/16 B0095 苯并恶唑 Benzoxazole 25G 613元 2010/06/21 105681000 苯并恶唑 Benzoxazole 99+% 100 GR 1654元
  • Alfa Aesar:苯并唑,97% Benzoxazole, 97+%(273-53-0)
  • 急性毒性:口服-小鼠 LD50: 750 毫克/公斤; 腹腔-小鼠 LD50: 179 毫克/公斤
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Isoxazoles 异恶唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Oxadiazoles 恶二唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Oxazoles 恶唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzoxazole 苯并恶唑

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