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-carbal
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 nitro

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


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