CAS 87407-12-3 MFCD07375386-3-(Trifluoromethyl)-2-pyridinecarboxylic acid 3-三氟甲基吡啶-2-羧酸 TAO{mole}

3-(Trifluoromethyl)-2-pyridinecarboxylic acid 3-三氟甲基吡啶-2-羧酸

CAS 87407-12-3 MFCD07375386

化学结构图

SMILES: OC(=O)C1N=CC=CC=1C(F)(F)F

化学属性

Mol. Formula	C7H4F3NO2
Mol. Weight	191.11
Melting Point	117-118°

别名和识别编码

Chemical Name	3-(Trifluoromethyl)-2-pyridinecarboxylic acid
CAS Number	87407-12-3
Alfabeta Name	TRIFLUOROMETHYLPYRIDINECARBOXYLICACID 32()---
MDL Number	MFCD07375386
Synonym	3-(Trifluoromethyl)picolinic acid {LY} 3-(Trifluoromethyl)picolinic acid {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)picolinic acid {}
Chemical Name Translation	3-三氟甲基吡啶-2-羧酸
PubChem Substance ID	253661119
Reaxys-RN	7024516
Canonical SMILES	FC(F)(F)C(C=CC=N1)=C1C(O)=O

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产品应用

Picolinic acid (P437220) derivative used in the synthesis of oxazine derivatives that act as BACE inhibitors for treatment of diabetes and neurological disorders.

安全信息

Warnings IRRITANT

GHS Symbol

WGK Germany3

Precautionary statements

P302+P352+P332+P313+P362+P364
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。
P301+P310
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P305+P351+P338+P337+P313

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H301 Toxic if swallowed 吞食有毒
H335 May cause respiratory irritation 可能导致呼吸道刺激

Signal word Danger

Hazard Codes T

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；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；

Risk Statements

R25 Toxic if swallowed 吞咽有毒
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

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

Lipinski's Rule of 5

H-bond Acceptors

Rotatable Bonds

H-bond Donors

LogP