4, 6-Dihydroxynicotinic Acid Ethyl Ester 4,6-二羟基烟酸乙酯

CAS 6975-44-6 MFCD00834976

化学结构图

6975-44-6
SMILES: CCOC(=O)c1c[nH]c(=O)cc1O

化学属性

Mol. FormulaC8H9NO4
Mol. Weight183.16
Melting Point214-217°C
Density1.380
Boiling Point497.6°C at 760 mmHg

别名和识别编码

Chemical Name4, 6-Dihydroxynicotinic Acid Ethyl Ester
CAS Number6975-44-6
Alfabeta NameETHYLDIHYDROXYNICOTINATE 46-,
MDL NumberMFCD00834976
EC Number250-023-7
Beilstein Registry Number2384789
Synonym Ethyl 4,6-dihydroxynicotinate {LY} Ethyl 4,6-dihydroxynicotinate {} {LY} Ethyl 4,6-dihydroxynicotinate {} {} {LY} Ethyl 4,6-dihydroxynicotinate {} {} {} {LY} Ethyl 4,6-dihydroxynicotinate {} {} {} {} {LY} Ethyl 4,6-dihydroxynicotinate {} {} {} {} {} {LY} Ethyl 4,6-dihydroxynicotinate {} {} {} {} {} {} {LY} Ethyl 4,6-dihydroxynicotinate {} {} {} {} {} {} {} {LY} Ethyl 4,6-dihydroxynicotinate {} {} {} {} {} {} {} {} {LY} Ethyl 4,6-dihydroxynicotinate {} {} {} {} {} {} {} {} {} {LY} Ethyl 4,6-dihydroxynicotinate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4,6-dihydroxynicotinate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4,6-dihydroxynicotinate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4,6-dihydroxynicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4,6-dihydroxynicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4,6-dihydroxynicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4,6-dihydroxynicotinate {} {} {} {} {} {} {} {} {}
Chemical Name Translation4,6-二羟基烟酸乙酯
Reaxys-RN142580
PubChem Substance ID354333782
InChIInChI=1S/C8H9NO4/c1-2-13-8(12)5-4-9-7(11)3-6(5)10/h3-4H,2H2,1H3,(H2,9,10,11)
Canonical SMILESCCOC(C1=CN=C(O)C=C1O)=O
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分类

  • {KO} HeteroArylOH
  • {KO} Esters

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
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；
  • 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
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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
  • P305+P351+P338+P337+P313
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Donors
2
H-bond Acceptors
5
Rotatable Bonds
3
LogP
9.371000000000000e-001

系列性分类

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