Indole-2-carboxaldehyde 吲哚-2-甲醛

CAS 19005-93-7 MFCD03001425

化学结构图

19005-93-7
SMILES: O=CC1=CC2C=CC=CC=2N1

化学属性

Mol. FormulaC9H7NO
Mol. Weight145
Melting Point138.0 to 142.0 deg-C
TSCANo
Density
Boiling Point

别名和识别编码

Chemical NameIndole-2-carboxaldehyde
CAS Number19005-93-7
Alfabeta NameINDOLECARBALDEHYDE H12---
MDL NumberMFCD03001425
Synonym 1H-Indole-2-carbaldehyde 吲哚-2-甲醛
Chemical Name Translation吲哚-2-甲醛
Reaxys-RN114171
PubChem Substance ID160871477
EC Number
Beilstein Registry Number
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分类

  • {SNA} Aldehydes, Building Blocks, C7 to C9, C9, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Indoles, Organic Building Blocks
  • Aldehydes, Building Blocks, C7 to C9, C9, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Indoles, Organic Building Blocks

相关文献及参考

  • 1. J. Org. Chem. 26 , 9276, (2002)
  • 2. Chem. Pharm. Bull. 39 , 2170, (1991)

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
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。
  • P332 IF SKIN irritation occurs: 如果发生皮肤刺激：
  • P302+P352+P332+P313+P362+P364
  • 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。
  • P305+P351+P338+P337+P313
  • P305 IF IN EYES: 如果进入眼睛
  • P337 If eye irritation persists: 如果眼睛刺激持续
  • P302
Signal word Warning
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H315 Causes skin irritation 会刺激皮肤
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
Hazard Codes Xi
Storage condition Air Sensitive
UN Number
RTECS
Packing Group

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
1
Rotatable Bonds
1
LogP
1

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C9 - Aldehydes

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