4-Phenylpyrimidine 4-苯基嘧啶

CAS 3438-48-0 MFCD00006111

化学结构图

3438-48-0
SMILES: c1ccc(-c2ccncn2)cc1

化学属性

Mol. FormulaC10H8N2
Mol. Weight156.18
Density1.422
Melting Point54-58°C
Boiling Point296.3°C at 760 mmHg

别名和识别编码

Chemical Name4-Phenylpyrimidine
Synonym 4-Phenylpyrimidine {LY} 4-Phenylpyrimidine {} {LY} 4-Phenylpyrimidine {} {} {LY} 4-Phenylpyrimidine {} {} {} {LY} 4-Phenylpyrimidine {} {} {} {} {LY} 4-Phenylpyrimidine {} {} {} {} {} {LY} 4-Phenylpyrimidine {} {} {} {} {} {} {LY} 4-Phenylpyrimidine {} {} {} {} {} {} {} {LY} 4-Phenylpyrimidine {} {} {} {} {} {} {} {} {LY} 4-Phenylpyrimidine {} {} {} {} {} {} {} {} {} {LY} 4-Phenylpyrimidine {} {} {} {} {} {} {} {} {} {} {LY} 4-Phenylpyrimidine {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Phenylpyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Phenylpyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Phenylpyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Phenylpyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Phenylpyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Phenylpyrimidine
CAS Number3438-48-0
EC Number222-345-8
Beilstein Registry Number0112781
MDL NumberMFCD00006111
PubChem Substance ID18923
Chemical Name Translation4-苯基嘧啶
InChIKeyMKLQPIYLZMLAER-UHFFFAOYSA-N
Wiswesser Line NotationT6N CNJ DR
Reaxys-RN112781
LabNetwork Molecule IDLN01115057
InChIInChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H
Canonical SMILESC1=CC=C(C=C1)C2=NC=NC=C2
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分类

  • {SNA} Building Blocks, C9 to C11, Chemical Synthesis, Heterocyclic Building Blocks, Pyrimidines
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment

相关文献及参考

  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
  • Short: III/35C2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 2: Heterocycles Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C2 Year: 2003 Keyword: chemical shift; coupling constant; molecular structure ISBN: 3-540-41057-0 ISBN: 978-3-540-41057-7 Internet Resource: DOI:10.1007/b89252 RefComment: VIII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions,
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安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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
  • R36 Irritating to eyes 刺激眼睛
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P330 Rinse mouth. 漱口
  • P337+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSUV9640000
Hazard Codes Xn
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#12247

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

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. Pyrimidines 嘧啶
  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. Pyrimidines 嘧啶
  5. C9 to C11 - Pyrimidines

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