Pyrimidine-4-carboxylic acid 4-嘧啶甲酸

CAS 31462-59-6 MFCD00129737

化学结构图

31462-59-6
SMILES: OC(=O)C1C=CN=CN=1

化学属性

Mol. FormulaC5H4N2O2
Mol. Weight124
Melting Point225.0 to 229.0 deg-C
Density1.422
TSCAYes

别名和识别编码

Chemical NamePyrimidine-4-carboxylic acid
CAS Number31462-59-6
Alfabeta NamePYRIMIDINECARBOXYLICACID 4-
MDL NumberMFCD00129737
Beilstein Registry Number2384789
Synonym 4-Pyrimidinecarboxylic acid
Chemical Name Translation4-嘧啶甲酸
InChIKeyYPOXGDJGKBXRFP-UHFFFAOYSA-N
EC Number250-641-7
PubChem Substance ID354334010
Reaxys-RN112029
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分类

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

安全信息

Warnings IRRITANT
Signal word
WGK Germany3
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；
  • 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；
  • 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
  • R36 Irritating to eyes 刺激眼睛
Precautionary statements
Hazard Codes Xi
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
GHS Symbol

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
1
H-bond Donors
1
LogP
1.881000000000000e-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
  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. Pyrimidine Acids

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