3,5-Dibromo-1H-1,2,4-Triazole 3,5-二溴-1H-1,2,4-三唑

CAS 7411-23-6 MFCD00487260

化学结构图

7411-23-6
SMILES: Brc1nnc(Br)[nH]1

化学属性

Mol. FormulaC2HBr2N3
Mol. Weight226.86
Melting Point201°C
Density2.620
Boiling Point364.8°C at 760 mmHg

别名和识别编码

Chemical Name3,5-Dibromo-1H-1,2,4-Triazole
CAS Number7411-23-6
Alfabeta NameDIBROMOTRIAZOLE H351124----,,,
MDL NumberMFCD00487260
Synonym 3,5-Dibromo-1H-1,2,4-triazole {LY} 3,5-Dibromo-1H-1,2,4-triazole {} {LY} 3,5-Dibromo-1H-1,2,4-triazole {} {} {LY} 3,5-Dibromo-1H-1,2,4-triazole {} {} {} {LY} 3,5-Dibromo-1H-1,2,4-triazole {} {} {} {} {LY} 3,5-Dibromo-1H-1,2,4-triazole {} {} {} {} {} {LY} 3,5-Dibromo-1H-1,2,4-triazole {} {} {} {} {} {} {LY} 3,5-Dibromo-1H-1,2,4-triazole {} {} {} {} {} {} {} {LY} 3,5-Dibromo-1H-1,2,4-triazole {} {} {} {} {} {} {} {} {LY} 3,5-Dibromo-1H-1,2,4-triazole {} {} {} {} {} {} {} {} {} {LY} 3,5-Dibromo-1H-1,2,4-triazole {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dibromo-1H-1,2,4-triazole {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dibromo-1H-1,2,4-triazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dibromo-1H-1,2,4-triazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dibromo-1H-1,2,4-triazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dibromo-1H-1,2,4-triazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dibromo-1H-1,2,4-triazole {} {} {} {} {} {} {} {} {}
Chemical Name Translation3,5-二溴-1H-1,2,4-三唑
InChIKeyFRAKFBWDPXYIQO-UHFFFAOYSA-N
Wiswesser Line NotationT5MN DNJ CE EE
PubChem Substance ID81904
Reaxys-RN606589
LabNetwork Molecule IDLN00010171
InChIInChI=1S/C2HBr2N3/c3-1-5-2(4)7-6-1/h(H,5,6,7)
Canonical SMILESC1(=N[NH]C(=N1)Br)Br
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分类

  • {KO} AminesSecondaryHeteroNH
  • {KO} ReacBromides
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Triazoles

安全信息

Warnings IRRITANT
Hazard Codes Xn Xi
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • 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；
  • 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；
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
  • 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
  • R22 Harmful if swallowed 吞咽有害
RTECSXZ4570000 
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#05096

WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P305+P351+P338+P337+P313
  • P301+P312+P330
  • 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。
  • P302+P352+P332+P313+P362+P364
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
2
Rotatable Bonds
0
LogP
2

其他信息

  • Acros Organics:3,5-二溴-1氢-1,2,4-三唑 3,5-dibromo-1H-1,2,4-triazole(7411-23-6)
  • MOL 文件:7411-23-6.mol
  • 3,5-二溴-1H-1,2,4-三唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 MO07857EB 3,5-二溴-1H-1,2,4-三唑 3,5-dibromo-1H-1,2,4-triazole 25 GR 12330元 2010/06/21 MO07857CB 3,5-二溴-1H-1,2,4-三唑 3,5-dibromo-1H-1,2,4-triazole 250 MG 660元 2010/06/21 MO07857DA 3,5-二溴-1H-1,2,4-三唑 3,5-dibromo-1H-1,2,4-triazole 1 GR 870元
  • 上游原料:二氯甲烷 --> 溴 --> 1,2,4-三氮唑
  • Hazard Note:Irritant

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. Triazoles 三唑

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