5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxaldehyde 5-氯-1,3-二甲基-1H-吡唑-4-甲醛

CAS 27006-76-4 MFCD00052538

化学结构图

27006-76-4
SMILES: CC1=NN(C)C(Cl)=C1C=O

化学属性

Mol. FormulaC6H7ClN2O
Mol. Weight159
Melting Point78-79
TSCANo
Density1.422

别名和识别编码

Chemical Name5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxaldehyde
CAS Number27006-76-4
Alfabeta NameCHLORODIMETHYLPYRAZOLECARBALDEHYDE H51314-------,
MDL NumberMFCD00052538
EC Number250-023-7
Beilstein Registry Number2384789
Synonym 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
Reaxys-RN637787
Chemical Name Translation5-氯-1,3-二甲基-1H-吡唑-4-甲醛
PubChem Substance ID329778136
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分类

  • Building Blocks, C6, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyrazoles
  • {SNA} Building Blocks, C3-C9, C6, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyrazoles
  • {KO} Aldehydes
  • {KO} ReacChlorides

安全信息

Warnings IRRITANT
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；
  • 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
Signal word
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。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P305+P351+P338+P337+P313
Storage condition 储存温度：2-8℃
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H302 Harmful if swallowed 吞食有害
UN Number
Hazard Codes Xn
Packing GroupIII

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
2
Rotatable Bonds
1
H-bond Donors
0
LogP
1

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. Pyrazoles 吡唑
  5. C6 - Pyrazoles

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