4-Amino-6-chloro-5-pyrimidinecarboxaldehyde 4-氨基-6-氯-5-嘧啶甲醛

CAS 14160-93-1 MFCD03789626

化学结构图

14160-93-1
SMILES: NC1=NC=NC(Cl)=C1C=O

化学属性

Mol. FormulaC5H4ClN3O
Mol. Weight157.56
Melting Point162-164
Density1.422
TSCAYes

别名和识别编码

Chemical Name4-Amino-6-chloro-5-pyrimidinecarboxaldehyde
CAS Number14160-93-1
Alfabeta NameAMINOCHLOROPYRIMIDINECARBALDEHYDE 465-----
MDL NumberMFCD03789626
EC Number238-005-7
Beilstein Registry Number2384789
Synonym 4-Amino-6-chloro-5-pyrimidinecarbaldehyde 4-氨基-6-氯-5-嘧啶甲醛
Chemical Name Translation4-氨基-6-氯-5-嘧啶甲醛
PubChem Substance ID329783041
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分类

  • {SNA} Building Blocks, C4 to C5, Chemical Synthesis, Heterocyclic Building Blocks, Pyrimidines
  • {KO} Aldehydes
  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
Risk Statements
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Precautionary statements
Storage condition Air Sensitive
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛

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 Acceptors
3
Rotatable Bonds
1
H-bond Donors
1
LogP
5.702000000000000e-001

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. Pyrimidines 嘧啶
  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. Pyrimidines 嘧啶
  5. C4 to C5 - Pyrimidines

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