2-Methylisonicotinic acid 2-甲基-4-羧基吡啶

CAS 4021-11-8 MFCD00513435

化学结构图

4021-11-8
SMILES: Cc1cc(C(=O)O)ccn1

化学属性

Mol. FormulaC7H7NO2
Mol. Weight137.14
Melting Point295-299°C
Density1.422
TSCANo
Boiling Point368.2°C at 760 mmHg

别名和识别编码

Chemical Name2-Methylisonicotinic acid
CAS Number4021-11-8
Alfabeta NameMETHYLPYRIDINECARBOXYLICACID 24---
MDL NumberMFCD00513435
EC Number250-023-7
Beilstein Registry Number2384789
Synonym 2-Methylisonicotinic acid {LY} 2-Methylisonicotinic acid {} {LY} 2-Methylisonicotinic acid {} {} {LY} 2-Methylisonicotinic acid {} {} {} {LY} 2-Methylisonicotinic acid {} {} {} {} {LY} 2-Methylisonicotinic acid {} {} {} {} {} {LY} 2-Methylisonicotinic acid {} {} {} {} {} {} {LY} 2-Methylisonicotinic acid {} {} {} {} {} {} {} {LY} 2-Methylisonicotinic acid {} {} {} {} {} {} {} {} {LY} 2-Methylisonicotinic acid {} {} {} {} {} {} {} {} {} {LY} 2-Methylisonicotinic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylisonicotinic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylisonicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylisonicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylisonicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylisonicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylisonicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation2-甲基-4-羧基吡啶
Reaxys-RN112005
PubChem Substance ID2762821
LabNetwork Molecule IDLN00011005
InChIInChI=1S/C7H7NO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4H,1H3,(H,9,10)
Canonical SMILESO=C(C1=CC(C)=NC=C1)O
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分类

  • {SNA} Building Blocks, C7, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • {KO} CarboxylicAcids

相关文献及参考

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
  • 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;
  • 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
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。
  • P264+P265
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xi
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 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
1
H-bond Donors
1
LogP
1

系列性分类


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