1H-​Pyrazole, 3-​phenyl- 3-苯基吡唑

CAS 2458-26-6 MFCD00159654

化学结构图

2458-26-6
SMILES: c1ccc(-c2cc[nH]n2)cc1

化学属性

Mol. FormulaC9H8N2
Mol. Weight144.17
Melting Point75-77°C
Boiling Point339.1°C at 760 mmHg

别名和识别编码

Chemical Name1H-​Pyrazole, 3-​phenyl-
CAS Number2458-26-6
Alfabeta NamePHENYLPYRAZOLE H31---
MDL NumberMFCD00159654
PubChem Substance ID172089158
Synonym 3-Phenylpyrazole {LY} 3-Phenylpyrazole {} {LY} 3-Phenylpyrazole {} {} {LY} 3-Phenylpyrazole {} {} {} {LY} 3-Phenylpyrazole {} {} {} {} {LY} 3-Phenylpyrazole {} {} {} {} {} {LY} 3-Phenylpyrazole {} {} {} {} {} {} {LY} 3-Phenylpyrazole {} {} {} {} {} {} {} {LY} 3-Phenylpyrazole {} {} {} {} {} {} {} {} {LY} 3-Phenylpyrazole {} {} {} {} {} {} {} {} {} {LY} 3-Phenylpyrazole {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylpyrazole {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylpyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylpyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylpyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylpyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylpyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation3-苯基吡唑
EC Number222-099-1
Reaxys-RN2973
Wiswesser Line NotationT5MNJ CR
InChIKeyOEDUIFSDODUDRK-UHFFFAOYSA-N
InChIInChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)
Canonical SMILESC1(C2=CC=CC=C2)=NNC=C1
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分类

  • {SNA} Building Blocks, C9, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles

安全信息

Warnings IRRITANT
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。
  • 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+P330
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P337+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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSUQ7950000
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn Xn,Xi
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;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
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
  • 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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 193 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   FATOAO Farmakologiya i Toksikologiya (Moscow).  For English translation, see
   PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2-   
   1939-  Volume(issue)/page/year: 28,670,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DANKAS Doklady Akademii Nauk SSSR.  Proceedings of the Academy of Sciences
   of the USSR.  For English translation, see DBIOAM and DKBSAS.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-    1933-
   Volume(issue)/page/year: 123,200,1958

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 {} {} {} {} {} {}

其他信息

  • 3-苯基吡唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 AC29603DA 3-苯基吡唑 3-phenyl-1H-pyrazole 1 GR 315元 2010/06/21 296030025 3-苯基吡唑 3(5)-Phenyl-1H-pyrazole 99+% 2.5 GR 640元 2010/06/21 296030100 3-苯基吡唑 3(5)-Phenyl-1H-pyrazole 99+% 10 GR 2049元
  • 上游原料:1,4-二氧六环 --> 三苯基膦 --> 醋酸钯 --> 吡唑 --> 碘苯
  • Sigma Aldrich:2458-26-6(sigmaaldrich)
  • MOL 文件:2458-26-6.mol
  • Hazard Note:Irritant
  • Acros Organics:3(5)-苯基-1H-吡唑 3(5)-Phenyl-1H-pyrazole, 99+%(2458-26-6)

系列性分类


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