CAS 866775-17-9 Methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate (HCID 58964419)

基本情報

CAS: 866775-17-9
標準SMILES: COC(=O)c1ncc(C(F)(F)F)cc1N
InChIKey: RPBPQAHDCODVNJ-UHFFFAOYSA-N
分子式: C8H7F3N2O2
平均分子量: 220.15 g/mol
単同位体質量: 220.04596196

名称と識別子

優先名称: Methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate
IUPAC: methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate
現地名: 3-アミノ-5-(トリフルオロメチル)ピコリン酸メチル
英語名: 3-Amino-5-trifluoromethyl-pyridine-2-carboxylic acid methyl ester
分子式: C8H7F3N2O2
分子量: 220.15

名称と別名

866775-17-9Methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylateDTXSID40730718RefChem:815220DTXCID30681462874-350-5METHYL 3-AMINO-5-(TRIFLUOROMETHYL)PICOLINATE3-Amino-5-trifluoromethyl-pyridine-2-carboxylic acid methyl esterMFCD18259060Methyl 3-amino-5-(trifluoromethyl)-2-pyridinecarboxylate2-Pyridinecarboxylic acid, 3-amino-5-(trifluoromethyl)-, methyl esterSCHEMBL2373041

名称をさらに表示

3-アミノ-5-(トリフルオロメチル)ピコリン酸メチル3-amino-5-(trifluoromethyl)-2-pyridinecarboxylic acid methyl ester

SCHEMBL29699314AKOS023413076SB39177AS-41905SY222158DB-331088CS-0169427EN300-365849

データベース識別子

CAS: 866775-17-9
PubChem CID: 58964419
DTXSID: DTXSID40730718
EC Number: 874-350-5

物性

構造計算による物性

XLogP: 1.8
極性表面積: 65.2 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 245

物理化学的性質

沸点: 326.2 · 326.2±42.0 °C(Predicted)
比重(密度): 1.408 · 1.408±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 0.23 · 0.23±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.