5-Bromoindole-2-carboxylic acid 5-溴吲哚-2-羧酸

CAS 7254-19-5 MFCD00022705

化学结构图

7254-19-5
SMILES: O=C(O)c1cc2cc(Br)ccc2[nH]1

化学属性

Mol. FormulaC9H6BrNO2
Mol. Weight240.05
Melting Point287-288°C
Boiling Point470.9°C at 760 mmHg

别名和识别编码

Chemical Name5-Bromo-1H-indole-2-carboxylic acid
CAS Number7254-19-5
Alfabeta NameBROMOINDOLECARBOXYLICACID H512-----
MDL NumberMFCD00022705
Synonym 5-Bromo-1H-indole-2-carboxylic acid {LY} 5-Bromo-1H-indole-2-carboxylic acid {} {LY} 5-Bromo-1H-indole-2-carboxylic acid {} {} {LY} 5-Bromo-1H-indole-2-carboxylic acid {} {} {} {LY} 5-Bromo-1H-indole-2-carboxylic acid {} {} {} {} {LY} 5-Bromo-1H-indole-2-carboxylic acid {} {} {} {} {} {LY} 5-Bromo-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromo-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {LY} 5-Bromo-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {LY} 5-Bromo-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 5-Bromo-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromo-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromo-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromo-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromo-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromo-1H-indole-2-carboxyli
PubChem Substance ID252137
Reaxys-RN153253
Chemical Name Translation5-溴吲哚-2-羧酸
Beilstein Registry Number153253
LabNetwork Molecule IDLN00009365
Canonical SMILESO=C(C(N1)=CC2=C1C=CC(Br)=C2)O
InChIInChI=1S/C9H6BrNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
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分类

  • {KO} AminesSecondaryHeteroNH
  • {KO} CarboxylicAcids
  • {SNA} Building Blocks, C7 to C9, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Indoles

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Storage condition 2-8°C {LY} 2-8°C <0°C <;0 Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Signal word
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
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
  • 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。
  • 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。
  • P301+P312
  • P301+P317
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P335
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Codes Xi
GHS Symbol
Safety Statements
Risk Statements

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
2
H-bond Acceptors
2
Rotatable Bonds
1
LogP
2

其他信息

  • Sigma Aldrich:7254-19-5(sigmaaldrich)
  • 上游原料:乙醇 --> 多聚磷酸 --> 丙酮酸乙酯 --> 氢氧化锂 --> 4-溴苯肼盐酸盐
  • Hazard Note:Irritant
  • MOL 文件:7254-19-5.mol

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. Indoles 吲哚
  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. Indolines 吲哚啉
  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. Indoles 吲哚
  5. C7 to C9 - Indoles
  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. Halogenated Heterocycles 卤代杂环
  5. Indoles - Halogenated Heterocycles
  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. Heterocyclic Acids 杂环酸
  5. Indole Acids

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