1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE 1-氯甲基苯并三唑

CAS 54187-96-1 MFCD00216649

化学结构图

54187-96-1
SMILES: ClCN1N=NC2C=CC=CC1=2

化学属性

Mol. FormulaC7H6ClN3
Mol. Weight167.60
Melting Point136.0 to 139.0 deg-C

别名和识别编码

Chemical Name1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE
Synonym 1-(Chloromethyl)-1H-benzotriazole N-Chloromethyl benzotriazole 1-(Chloromethyl)benzotriazole 1-Chloromethyl-1H-benzotriazole 1-(氯甲基)-1H-苯并三唑 1-chloromethyl-1H-benzotriazole 1-chloromethylbenzotriazole
MDL NumberMFCD00216649
PubChem Substance ID87566523
CAS Number54187-96-1
Reaxys-RN134992
Chemical Name Translation1-氯甲基苯并三唑
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分类

  • {SNA} Benzotriazoles, Building Blocks, C-C Bond Formation, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Others, Synthetic Reagents
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment
  • Benzotriazoles, Building Blocks, C-C Bond Formation, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Others, Synthetic Reagents
  • {SNA} Benzotriazoles, Building Blocks, C-C Bond Formation, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Other Synthetic Reagents for C-C Bond Formation,

相关文献及参考

  • 1. Das, D.; et al. Inorg. Chem. Commun. 12 , 1120, (2009)
  • 2. Petit, S.; et al. ChemMedChem 4 , 261, (2009) 摘要
  • 3. Greco, M. N.; et al. J. Med. Chem. 50 , 1727, (2007)
  • 4. Radl, S.; Obadalova, I. ARKIVOC , 4, (2005)
  • FT-IR 2 (3), 3637:D / Structure Index 1 , 387:C:2
  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/3

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P301+P330+P331+P310
  • P303+P361+P353
  • P304+P340
  • P304+P340+P310
Signal word Danger
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Hazard Codes C
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
UN Number 3261
Packing GroupII
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • 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;
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服;
  • 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;
Risk Statements
  • R34 Causes burns 会导致灼伤
Hazard Class8

系列性分类


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