CAS 765298-04-2 3-Pyridineacetonitrile, 6-(trifluoromethyl)- (HCID 50851127)

基本情報

CAS: 765298-04-2
標準SMILES: N#CCc1ccc(C(F)(F)F)nc1
InChIKey: MUURVYOEMFYHRI-UHFFFAOYSA-N
分子式: C8H5F3N2
平均分子量: 186.13 g/mol

名称と識別子

優先名称: 3-Pyridineacetonitrile, 6-(trifluoromethyl)-
IUPAC: 2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile
英語名: 3-Pyridineacetonitrile, 6-(trifluoromethyl)-
分子式: C8H5F3N2
分子量: 186.13

名称と別名

765298-04-23-Pyridineacetonitrile, 6-(trifluoromethyl)-2-(Trifluoromethyl)pyridine-5-acetonitrile2-(6-(trifluoromethyl)pyridin-3-yl)acetonitrile2-[6-(trifluoromethyl)pyridin-3-yl]acetonitrileMFCD099238242-[6-(trifluoromethyl)-3-pyridyl]acetonitrileSCHEMBL265413RARECHEM AL MP 0326SCHEMBL29578992AKOS005063754AS-39582

名称をさらに表示

3-Pyridineacetonitrile, 6-(Trifluoromethyl)-(WX684039)

SY2186056-(Trifluoromethyl)-3-pyridineacetonitrileDB-346210(6-trifluoromethylpyridin-3-yl)-acetonitrile(6-Trifluoromethyl-pyridin-3-yl)-acetonitrile[6-(trifluoromethyl)-3-pyridinyl]acetonitrileEN300-314496AN-584/43583919

データベース識別子

CAS: 765298-04-2
PubChem CID: 50851127
EC Number: 141-767-2

物性

構造計算による物性

XLogP: 1.4
極性表面積: 36.7 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 215

物理化学的性質

沸点: 243.6 · 243.6±35.0 °C(Predicted)
比重(密度): 1.307 · 1.307±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): -0.51 · -0.51±0.22(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.