4,6-Dichloro-5-Pyrimidinecarbaldehyde 4,6-二氯-5-嘧啶甲醛

CAS 5305-40-8 MFCD02257701

化学结构图

5305-40-8
SMILES: O=Cc1c(Cl)ncnc1Cl

化学属性

Mol. FormulaC5H2Cl2N2O
Mol. Weight176.99
Melting Point70-72°C
TSCANo
Density1.422
Boiling Point286.1°C at 760 mmHg

别名和识别编码

Chemical Name4,6-Dichloro-5-Pyrimidinecarbaldehyde
CAS Number5305-40-8
Alfabeta NameDICHLOROPYRIMIDINECARBALDEHYDE 465---,
MDL NumberMFCD02257701
EC Number250-023-7
Beilstein Registry Number2384789
Synonym 4,6-Dichloropyrimidine-5-carbaldehyde {LY} 4,6-Dichloropyrimidine-5-carbaldehyde {} {LY} 4,6-Dichloropyrimidine-5-carbaldehyde {} {} {LY} 4,6-Dichloropyrimidine-5-carbaldehyde {} {} {} {LY} 4,6-Dichloropyrimidine-5-carbaldehyde {} {} {} {} {LY} 4,6-Dichloropyrimidine-5-carbaldehyde {} {} {} {} {} {LY} 4,6-Dichloropyrimidine-5-carbaldehyde {} {} {} {} {} {} {LY} 4,6-Dichloropyrimidine-5-carbaldehyde {} {} {} {} {} {} {} {LY} 4,6-Dichloropyrimidine-5-carbaldehyde {} {} {} {} {} {} {} {} {LY} 4,6-Dichloropyrimidine-5-carbaldehyde {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloropyrimidine-5-carbaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloropyrimidine-5-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloropyrimidine-5-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloropyrimidine-5-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloropyrimidine-5-
Chemical Name Translation4,6-二氯-5-嘧啶甲醛
PubChem Substance ID819691
LabNetwork Molecule IDLN01321734
InChIInChI=1S/C5H2Cl2N2O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H
Canonical SMILESO=CC1=C(Cl)N=CN=C1Cl
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分类

  • {KO} ReacChlorides
  • Aldehydes, Building Blocks, C1 to C6, C4 to C5, Carbonyl Compounds, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Organic Building Blocks, Pyrimidines
  • {KO} Aldehydes
  • {SNA} Aldehydes, Building Blocks, C1 to C6, C4 to C5, Carbonyl Compounds, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Organic Building Blocks, Pyrimidines

安全信息

Warnings IRRITANT-HARMFUL, AVOID SKIN CONTACT
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。
  • P305+P351+P338
Signal word
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • 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
Hazard Codes Xn Xi,Xn
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R22 Harmful if swallowed 吞咽有害
Storage condition -20°C, stored under nitrogen {LY} -20°C, stored under nitrogen {} {LY} -20°C, stored under nitrogen {} {} {LY} -20°C, stored under nitrogen {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

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
0
LogP
1

其他信息

  • Hazard Note:Irritant
  • MOL 文件:5305-40-8.mol
  • 检测方法:HPLC
  • 存储注意事项:氮气保护
  • 上游原料:乙醚 --> N,N-二甲基甲酰胺 --> 三氯氧磷 --> 4,6-二羟基嘧啶
  • Sigma Aldrich:5305-40-8(sigmaaldrich)

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. Halogenated Heterocycles 卤代杂环
  5. Pyrimidines - 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. Pyrimidines 嘧啶
  5. C4 to C5 - Pyrimidines

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