4'-Bromoacetophenone 4-氨基-1,2,4-三氮唑

CAS 584-13-4 MFCD00000105

化学结构图

584-13-4
SMILES: Nn1cnnc1

化学属性

Mol. FormulaC2H4N4
Mol. Weight84.08
Density1.64
Flash Point>110°(230°F)
TSCAYes
Boiling Point267.6°C at 760 mmHg
Melting Point84-86°C
Appearance 具吸湿性的针状结晶。
Solubilitymethanol: 0.1 g/mL, clear

别名和识别编码

Chemical Name4'-Bromoacetophenone
CAS Number584-13-4
Synonym 4H-1,2,4-Triazol-4-amine {LY} 4H-1,2,4-Triazol-4-amine {} {LY} 4H-1,2,4-Triazol-4-amine {} {} {LY} 4H-1,2,4-Triazol-4-amine {} {} {} {LY} 4H-1,2,4-Triazol-4-amine {} {} {} {} {LY} 4H-1,2,4-Triazol-4-amine {} {} {} {} {} {LY} 4H-1,2,4-Triazol-4-amine {} {} {} {} {} {} {LY} 4H-1,2,4-Triazol-4-amine {} {} {} {} {} {} {} {LY} 4H-1,2,4-Triazol-4-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4H-1,2,4-Triazol-4-amine {} {} {} {} {} {} {} {} {} {LY} 4H-1,2,4-Triazol-4-amine {} {} {} {} {} {} {} {} {} {} {LY} 4H-1,2,4-Triazol-4-amine {} {} {} {} {} {} {} {} {} {} {} {LY} 4H-1,2,4-Triazol-4-amine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4H-1,2,4-Triazol-4-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4H-1,2,4-Triazol-4-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4H-1,2,4-Triazol-4-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4H-1,2,4-Triazol-4-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number202-799-3
Beilstein Registry Number386015
MDL NumberMFCD00003099
Merck Number1403
PubChem Substance ID11432
Reaxys-RN386015
Chemical Name Translation4-氨基-1,2,4-三氮唑
InChIInChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2
Canonical SMILESC1=NN=C[N]1N
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分类

  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • Miscellaneous Reagents
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

产品应用

  • 有机合成中间体。用于染料、医药及试剂。

相关文献及参考

  • Rajabi, L., et al.: Lett Appl Microbiol., 40, 212 (2005),
  • Short: II/27B
  • Short: III/20b
  • Evans, S., et al.: Chem. Biol. Drug. Des., 75, 333 (2010),
  • Merck: 14,1403 Beilstein:7,283
  • Merck: 14,1403

安全信息

Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • 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;
  • S36/37/39 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;
  • S37 Wear suitable gloves 戴适当手套;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
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
  • R42/43
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P302+P352+P332+P313+P362+P364
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P342+P311
  • P305+P351+P338+P337+P313
  • P302+P350
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn Xn,Xi Xi
RTECSXZ3850200
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • TCI Shanghai:4-氨基-1,2,4-三氮唑 4-Amino-1,2,4-triazole,>;98.0%(T)(584-13-4)
  • 溶于乙醇、乙醚、冰醋酸、苯、二硫化碳和石油醚,不溶于水。易随水蒸气挥发。
  • 用途二:用于有机合成。
  • F:8
  • Sigma Aldrich:584-13-4(sigmaaldrich)
  • Alfa Aesar:4-氨基-1,2,4-三唑,99% 4-Amino-1,2,4-triazole, 99%(584-13-4)
  • MOL 文件:584-13-4.mol
  • Acros Organics:4-氨基-4H-1,2,4-三唑 4-Amino-4H-1,2,4-triazole, 99%(584-13-4)
  • 方法一:由甲酰肼加热制得。将甲酰肼在常压下加热3h,浴温由50℃升至200℃,再冷至100℃左右,并将糖浆状物溶于95%乙醇中,再加活性炭脱色,然后将滤液用乙醚稀释,冷却结晶,过滤。用1:2乙醇-乙醚混合溶剂洗涤并干燥得粗品,再用95%热乙醇和乙醚重结晶而得纯品。甲酰肼可由甲酸乙酯和水合肼反应得到。
  • Hazard Note:Irritant
  • 图谱信息:4-氨基-1,2,4-三氮唑(584-13-4)红外图谱(IR1) 4-氨基-1,2,4-三氮唑(584-13-4)质谱(MS) 4-氨基-1,2,4-三氮唑(584-13-4)核磁图( 1 HNMR) 4-氨基-1,2,4-三氮唑(584-13-4)红外图谱(IR2) 4-氨基-1,2,4-三氮唑(584-13-4)核磁图( 13 CNMR)
  • 4-氨基-1,2,4-三氮唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A1137 4-氨基-1,2,4-三氮唑 4-Amino-1,2,4-triazole 25G 855元 2014/06/02 A1137 4-氨基-1,2,4-三氮唑 4-Amino-1,2,4-triazole 250G 4280元 2010/06/21 104701000 4-氨基-1,2,4-三氮唑 4-Amino-4H-1,2,4-triazole 99% 100 GR 1908元
  • 上游原料:乙醇 --> 糖浆 --> 甲酰肼
  • 下游产品:4-(4-溴苯氧基)吡啶-3-醛
  • 用途一:用于制造农药、医药的中间体及有机合成

系列性分类


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