5-Chlorobenzo[D]Oxazol-2-Amine 5-氯苯并[d]恶唑-2-胺

CAS 61-80-3 MFCD00005770

化学结构图

61-80-3
SMILES: Nc1nc2cc(Cl)ccc2o1

化学属性

Mol. FormulaC7H5ClN2O
Mol. Weight168.58
Melting Point181-184 °C
SolubilityDMSO 34 mg/mL Water <1 mg/mL Ethanol 34 mg/mL
Boiling Point316.8 °C at 760 mmHg

别名和识别编码

Chemical Name5-Chlorobenzo[D]Oxazol-2-Amine
CAS Number61-80-3
Synonym Zoxazolamine {LY} Zoxazolamine {} {LY} Zoxazolamine {} {} {LY} Zoxazolamine {} {} {} {LY} Zoxazolamine {} {} {} {} {LY} Zoxazolamine {} {} {} {} {} {LY} Zoxazolamine {} {} {} {} {} {} {LY} Zoxazolamine {} {} {} {} {} {} {} {LY} Zoxazolamine {} {} {} {} {} {} {} {} {LY} Zoxazolamine {} {} {} {} {} {} {} {} {} {LY} Zoxazolamine {} {} {} {} {} {} {} {} {} {} {LY} Zoxazolamine {} {} {} {} {} {} {} {} {} {} {} {LY} Zoxazolamine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Zoxazolamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Zoxazolamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Zoxazolamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Zoxazolamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Zoxazolamine {} {} {} {} {} {} {}
MDL NumberMFCD00005770
PubChem Substance ID24890884
EC Number200-519-4
Alfabeta NameCHLOROBENZOXAZOLAMINE 5132-----,
Chemical Name Translation5-氯苯并[d]恶唑-2-胺
Merck Number13,10249
Wiswesser Line NotationT56 BN DOJ CZ HG
LabNetwork Molecule IDLN00180136
Canonical SMILESNC1=NC2=CC(Cl)=CC=C2O1
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分类

  • {SA} Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Oxazoles
  • Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Oxazoles

产品应用

  • Centrally acting myorelaxant; formerly used as an antispasmodic and uricosuric. Used as a tool for assessing hepatic cytochrome P-450 activity in rodents.

相关文献及参考

  • Tomaszeski, J.E., et al.: Arch. Biochem. Biophys., 176, 788 (1976),
  • M van der Graaff, et al.: Drug Metab. Dispos., 14, 331 (1986),
  • Merck 14 ,10199
  • Aldrich MSDS 1 , 69:D / Corp MSDS 1 (1), 153:A / FT-IR 2 (3), 3648:A / FT-IR 1 (2), 698:D / FT-NMR 1 (3), 199:B / IR-Spectra (3), 1278:A / IR-Spectra (2), 1111:E / NMR-Reference 2 (2), 571:C / RegBook 1 (2), 2451:F / Sax 6 , 206 / Sigma FT-IR 1 (2), 261:B / Structure Index 1 , 388:A:3

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
Signal word
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H315 Causes skin irritation 会刺激皮肤
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
Hazard Codes Xn
RTECSDM4550000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
Warnings IRRITANT
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 117 mg/kg
TOXIC EFFECTS :
   Autonomic Nervous System - smooth muscle relaxant (mechanism undefined,
   spasmolytic)
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87.
   Volume(issue)/page/year: 16,3

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human
DOSE/DURATION           : 14 mg/kg/D
TOXIC EFFECTS :
   Behavioral - stiffness
REFERENCE :
   JAMAAP JAMA, Journal of the American Medical Association.  (AMA, 535 N.
   Dearborn St., Chicago, IL 60610)  V.1-    1883-  Volume(issue)/page/year:
   160,745,1956

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 1607 mg/kg/34W-I
TOXIC EFFECTS :
   Liver - jaundice, other or unclassified
REFERENCE :
   JAMAAP JAMA, Journal of the American Medical Association.  (AMA, 535 N.
   Dearborn St., Chicago, IL 60610)  V.1-    1883-  Volume(issue)/page/year:
   176,874,1961

TYPE OF

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATIO

其他信息

  • 苯并恶唑胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 103380010 苯并恶唑胺 2-Amino-5-chlorobenzoxazole 97% 1 GR 311元 2010/06/21 103380250 苯并恶唑胺 2-Amino-5-chlorobenzoxazole 97% 25 GR 3768元 2010/06/21 103380050 苯并恶唑胺 2-Amino-5-chlorobenzoxazole 97% 5 GR 951元
  • 可燃性危险特性:可燃;燃烧产生有毒氮氧化物和氯化物烟雾
  • 储运特性:库房通风低温干燥
  • 毒性分级:中毒
  • 2-氨基-5-氯苯并噁唑
  • 图谱信息:苯并恶唑胺(61-80-3)红外图谱(IR1)
  • MOL 文件:61-80-3.mol
  • 急性毒性:口服-大鼠LD50:782 毫克/公斤; 口服-小鼠LD50:540 毫克/公斤
  • Sigma Aldrich:61-80-3(sigmaaldrich)
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 类别:有毒物品
  • Acros Organics:2-氨基-5-氯苯并恶唑 2-Amino-5-chlorobenzoxazole, 97%(61-80-3)

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. Halogenated Heterocycles 卤代杂环
  5. Oxazoles - Halogenated Heterocycles
  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. Halogenated Heterocycles 卤代杂环
  5. Oxazoles - Halogenated Heterocycles
  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. Halogenated Heterocycles 卤代杂环
  5. Oxadiazoles

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