Methyl 2-Chloro-4-Fluorobenzoate 2-氯-4-氟苯甲酸甲酯

CAS 85953-29-3 MFCD00173937

化学结构图

85953-29-3
SMILES: COC(=O)C1=CC=C(F)C=C1Cl

化学属性

Mol. FormulaC8
Mol. Weight189
Boiling Point103-105°/15mm
Melting PointOil
TSCANo
Refractive index1.5150 to 1.5190
pH:A

别名和识别编码

Chemical NameMethyl 2-Chloro-4-Fluorobenzoate
CAS Number85953-29-3
Alfabeta NameMETHYLCHLOROFLUOROBENZENECARBOXYLATE 24---
MDL NumberMFCD00173937
Synonym 2-Chloro-4-fluorobenzoic acid methyl ester
Chemical Name Translation2-氯-4-氟苯甲酸甲酯
Reaxys-RN5862578
PubChem Substance ID354335411
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分类

  • {KO} Esters

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；
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
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
GHS Symbol
Signal word
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P337+P313

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
2
H-bond Donors
0
LogP
2

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物

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