2,6-Dinitro-4-(trifluoromethyl)aniline 4-氨基-3,5-二硝基三氟甲苯

CAS 445-66-9 MFCD00024260

化学结构图

445-66-9
SMILES: Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]

化学属性

Mol. FormulaC7H4F3N3O4
Mol. Weight251.12
Melting Point143-144 °C
Boiling Point313.1±42.0 °C at 760 mmHg
Flash Point143.1±27.9 °C

别名和识别编码

Chemical Name2,6-Dinitro-4-(trifluoromethyl)aniline
CAS Number445-66-9
Alfabeta NameDINITROTRIFLUOROMETHYLANILINE 264()---,
MDL NumberMFCD00024260
PubChem Substance ID9936
Chemical Name Translation4-氨基-3,5-二硝基三氟甲苯
Synonym 2,6-Dinitro-4-(trifluoromethyl)aniline {LY} 2,6-Dinitro-4-(trifluoromethyl)aniline {} {LY} 2,6-Dinitro-4-(trifluoromethyl)aniline {} {} {LY} 2,6-Dinitro-4-(trifluoromethyl)aniline {} {} {} {LY} 2,6-Dinitro-4-(trifluoromethyl)aniline {} {} {} {} {LY} 2,6-Dinitro-4-(trifluoromethyl)aniline {} {} {} {} {} {LY} 2,6-Dinitro-4-(trifluoromethyl)aniline {} {} {} {} {} {} {LY} 2,6-Dinitro-4-(trifluoromethyl)aniline {} {} {} {} {} {} {} {LY} 2,6-Dinitro-4-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dinitro-4-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {LY} 2,6-Dinitro-4-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dinitro-4-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dinitro-4-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dinitro-4-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dinitro-4-(trifluorome
LabNetwork Molecule IDLN00118011
InChIInChI=1S/C7H4F3N3O4/c8-7(9,10)3-1-4(12(14)15)6(11)5(2-3)13(16)17/h1-2H,11H2
Canonical SMILESC1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C(F)(F)F
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分类

  • {KO} Anilines
  • Amines, Building Blocks, C7, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks
  • {KO} Nitros
  • {SNA} Amines, Building Blocks, C7, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks

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。
  • P264+P265
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • 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）。
  • 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
  • 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
Hazard Codes Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
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；
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
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
0
H-bond Donors
1
LogP
2

其他信息

  • Sigma Aldrich:445-66-9(sigmaaldrich)
  • MOL 文件:445-66-9.mol
  • Hazard Note:Irritant

系列性分类

  1. C7 - Amines
  1. C10 to C11 - Amines

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