Methyl 2-Hydroxy-5-Iodobenzoate 2-羟基-5-碘代苯甲酸甲酯

CAS 4068-75-1 MFCD00016462

化学结构图

4068-75-1
SMILES: COC(=O)c1cc(I)ccc1O

化学属性

Mol. FormulaC8H7IO3
Mol. Weight278.04
Melting Point73-78 °C
TSCANo
Boiling Point100-110 °C at 0.3-0.5 mmHg

别名和识别编码

Chemical NameMethyl 2-Hydroxy-5-Iodobenzoate
CAS Number4068-75-1
Alfabeta NameMETHYLHYDROXYIODOBENZENECARBOXYLATE 25---
MDL NumberMFCD00016462
Synonym Methyl 2-hydroxy-5-iodobenzoate {LY} Methyl 2-hydroxy-5-iodobenzoate {} {LY} Methyl 2-hydroxy-5-iodobenzoate {} {} {LY} Methyl 2-hydroxy-5-iodobenzoate {} {} {} {LY} Methyl 2-hydroxy-5-iodobenzoate {} {} {} {} {LY} Methyl 2-hydroxy-5-iodobenzoate {} {} {} {} {} {LY} Methyl 2-hydroxy-5-iodobenzoate {} {} {} {} {} {} {LY} Methyl 2-hydroxy-5-iodobenzoate {} {} {} {} {} {} {} {LY} Methyl 2-hydroxy-5-iodobenzoate {} {} {} {} {} {} {} {} {LY} Methyl 2-hydroxy-5-iodobenzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 2-hydroxy-5-iodobenzoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-hydroxy-5-iodobenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-hydroxy-5-iodobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-hydroxy-5-iodobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-hydroxy-5-iodobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-hydroxy-5-iodobe
Chemical Name Translation2-羟基-5-碘代苯甲酸甲酯
Reaxys-RN2208368
PubChem Substance ID248910
LabNetwork Molecule IDLN00150486
InChIInChI=1S/C8H7IO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
Canonical SMILESO=C(OC)C1=CC(I)=CC=C1O
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分类

  • {KO} ArylOHs
  • {KO} Esters
  • {KO} ReacIodides

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；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/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
  • R22 Harmful if swallowed 吞咽有害
Signal word
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
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。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
Hazard Codes Xn,Xi
UN Number 2811
GHS Symbol
Storage condition 2-8°C, protect from light, stored under nitrogen {LY} 2-8°C, protect from light, stored under nitrogen {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitr

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
2
H-bond Donors
1
LogP
2

其他信息

  • Alfa Aesar:5-碘水杨酸甲酯,99% Methyl 5-iodosalicylate, 99%(4068-75-1)
  • Sigma Aldrich:4068-75-1(sigmaaldrich)
  • TCI Shanghai:5-碘水杨酸甲酯 Methyl 5-Iodosalicylate,>;98.0%(GC)(4068-75-1)
  • Hazard Note:Irritant
  • MOL 文件:4068-75-1.mol
  • Acros Organics:5-碘水杨酸甲酯 Methyl 5-iodosalicylate, 99%(4068-75-1)
  • 5-碘水杨酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0539 5-碘水杨酸甲酯 Methyl 5-Iodosalicylate 5G 390元 2014/06/02 I0539 5-碘水杨酸甲酯 Methyl 5-Iodosalicylate 25G 1100元 2010/06/21 381770100 5-碘水杨酸甲酯 Methyl 5-iodosalicylate 99% 10 GR 614元

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds

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