5-Phenyl-1,3,4-oxadiazol-2-amine 5-苯基-2-氨基-1,3,4-噁二唑

CAS 1612-76-6 MFCD00126383

化学结构图

1612-76-6
SMILES: Nc1nnc(-c2ccccc2)o1

化学属性

Mol. FormulaC8H7N3O
Mol. Weight161.16
Melting Point237-242°C
Boiling Point332.3°C at 760 mmHg

别名和识别编码

Chemical Name5-Phenyl-1,3,4-oxadiazol-2-amine
CAS Number1612-76-6
Alfabeta NamePHENYLOXADIAZOLAMINE 51342-----,,
MDL NumberMFCD00126383
Synonym 5-Phenyl-1,3,4-oxadiazol-2-amine {LY} 5-Phenyl-1,3,4-oxadiazol-2-amine {} {LY} 5-Phenyl-1,3,4-oxadiazol-2-amine {} {} {LY} 5-Phenyl-1,3,4-oxadiazol-2-amine {} {} {} {LY} 5-Phenyl-1,3,4-oxadiazol-2-amine {} {} {} {} {LY} 5-Phenyl-1,3,4-oxadiazol-2-amine {} {} {} {} {} {LY} 5-Phenyl-1,3,4-oxadiazol-2-amine {} {} {} {} {} {} {LY} 5-Phenyl-1,3,4-oxadiazol-2-amine {} {} {} {} {} {} {} {LY} 5-Phenyl-1,3,4-oxadiazol-2-amine {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 5-Phenyl-1,3,4-oxadiazol-2-amine {} {} {} {} {} {} {} {} {} {LY} 5-Phenyl-1,3,4-oxadiazol-2-amine {} {} {} {} {} {} {} {} {} {} {LY} 5-Phenyl-1,3,4-oxadiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Phenyl-1,3,4-oxadiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Phenyl-1,3,4-oxadiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Phenyl-1,3,4-oxadiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID15363
Chemical Name Translation5-苯基-2-氨基-1,3,4-噁二唑
InChIKeyCQSFYCBGVMWPCM-UHFFFAOYSA-N
Wiswesser Line NotationT5NN DOJ CZ ER
LabNetwork Molecule IDLN00140978
Reaxys-RN6324
InChIInChI=1S/C8H7N3O/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
Canonical SMILESNC1=NN=C(C2=CC=CC=C2)O1
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信息真实价格透明    资金保障    专业采购外包团队在线服务   
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Oxadiazoles
  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
Hazard Codes Xn
Safety Statements
  • 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;
WGK Germany3
GHS Symbol
Precautionary statements
  • 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。
  • P264+P265
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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+P317
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSRO0620000
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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
  • R22 Harmful if swallowed 吞咽有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 219 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
   Behavioral - changes in motor activity (specific assay)
   Behavioral - muscle weakness
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 13,629,1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 9,478,1966

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
1
H-bond Donors
1
LogP
1

其他信息

  • MOL 文件:1612-76-6.mol
  • Sigma Aldrich:1612-76-6(sigmaaldrich)

系列性分类


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