2-chloro-1H-indole-3-carbaldehyde 2-氯-1H-吲哚-3-甲醛

CAS 5059-30-3 MFCD00111620

化学结构图

5059-30-3
SMILES: O=Cc1c(Cl)[nH]c2ccccc12

化学属性

Mol. FormulaC9H6ClNO
Mol. Weight179.60
Melting Point-212 °C
TSCANo
Boiling Point364.7°C at 760 mmHg

别名和识别编码

Chemical Name2-chloro-1H-indole-3-carbaldehyde
CAS Number5059-30-3
Alfabeta NameCHLOROINDOLECARBALDEHYDE H213-----
MDL NumberMFCD00111620
Synonym 2-Chloro-1H-indole-3-carbaldehyde {LY} 2-Chloro-1H-indole-3-carbaldehyde {} {LY} 2-Chloro-1H-indole-3-carbaldehyde {} {} {LY} 2-Chloro-1H-indole-3-carbaldehyde {} {} {} {LY} 2-Chloro-1H-indole-3-carbaldehyde {} {} {} {} {LY} 2-Chloro-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-1H-indole-3-carbaldehyde {} {} {} {} {} {} {LY} 2-Chloro-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {LY} 2-Chloro-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {} {LY} 2-Chloro-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-1H-indole-3-c
Chemical Name Translation2-氯-1H-吲哚-3-甲醛
LabNetwork Molecule IDLN00124959
PubChem Substance ID314791
InChIInChI=1S/C9H6ClNO/c10-9-7(5-12)6-3-1-2-4-8(6)11-9/h1-5,11H
Canonical SMILESC1=CC=C2C(=C1)C(=C(Cl)N2)C=O
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分类

  • {KO} Aldehydes
  • {KO} ReacChlorides
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Safety Statements
  • 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;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
  • 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;
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 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Air Sensitive {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stor
Hazard Codes Xi
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
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.....

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

其他信息

  • MOL 文件:5059-30-3.mol

系列性分类


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