Methyl 2-Chloroisonicotinate 2-氯异烟酸甲酯

CAS 58481-11-1 MFCD01765409

化学结构图

58481-11-1
SMILES: COC(=O)c1ccnc(Cl)c1

化学属性

Mol. FormulaC7H6ClNO2
Mol. Weight171.58
Melting Point32.0 to 36.0 deg-C
Density1.422
Boiling Point70°C/0.1mmHg(lit.)

别名和识别编码

Chemical NameMethyl 2-Chloroisonicotinate
CAS Number58481-11-1
Alfabeta NameMETHYLCHLOROISONICOTINATE 2-
MDL NumberMFCD01765409
EC Number250-023-7
Beilstein Registry Number22(4)681
Synonym 2-氯吡啶-4-甲酸甲酯
PubChem Substance ID135727080
Chemical Name Translation2-氯异烟酸甲酯
Reaxys-RN128649
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分类

  • {KO} ReacChlorides
  • {KO} Esters
  • {SNA} Building Blocks, C7, C7 to C8, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyridines

安全信息

Warnings IRRITANT
Signal word
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；
  • S36/39 Wear suitable protective clothing and eye/face protection 穿戴适当的防护服和眼睛/面保护；
Risk Statements
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+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P337+P313
  • 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
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
Storage condition 0-10°C

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
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. Halogenated Heterocycles 卤代杂环
  5. Pyridines - Halogenated Heterocycles
  1. C7 to C8 - Pyridines
  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. Pyridines 吡啶

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