CAS 95727-86-9 5-(Trifluoromethyl)pyridine-2-carbonitrile (HCID 1535372)

基本情報

CAS: 95727-86-9
標準SMILES: N#Cc1ccc(C(F)(F)F)cn1
InChIKey: WDSCJULUXJSJOX-UHFFFAOYSA-N
分子式: C7H3F3N2
平均分子量: 172.11 g/mol
単同位体質量: 172.02483276

名称と識別子

優先名称: 5-(Trifluoromethyl)pyridine-2-carbonitrile
IUPAC: 5-(trifluoromethyl)pyridine-2-carbonitrile
英語名: 5-(Trifluoromethyl)picolinonitrile
分子式: C7H3F3N2
分子量: 172.11

名称と別名

95727-86-95-(trifluoromethyl)pyridine-2-carbonitrileDTXSID80364197RefChem:300752DTXCID603152435-(trifluoromethyl)picolinonitrile2-Cyano-5-(trifluoromethyl)pyridine2-PYRIDINECARBONITRILE, 5-(TRIFLUOROMETHYL)-2-Cyano-5-trifluoromethylpyridine5-(trifluoromethyl)-2-pyridinecarbonitrileMFCD010011195-trifluoromethyl-pyridine-2-carbonitrile

名称をさらに表示

(5-Trifluoromethyl-pyridin-2-yl)-acetonitril(5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ACETONITRILE5-(trifluoromethyl)pyridine-2-carbonitrile，98%2-(5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)ACETONITRILE(5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ACETONITRILE ISO 9001：2015 REACH2-Cyano-5-(trifluoromethyl)pyridine, 5-(Trifluoromethyl)picolinonitrile

5-(triflu5-Trifluoromethylpyridine-2-carbonitrileSCHEMBL2553743SCHEMBL30841758SBB088574AKOS006223896AB07941AS-5476

データベース識別子

CAS: 95727-86-9
PubChem CID: 1535372
DTXSID: DTXSID80364197
EC Number: 676-285-6

物性

構造計算による物性

XLogP: 1.8
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: 0
重原子数: 12
形式電荷: 0
複雑度: 202

物理化学的性質

沸点: 232.3 · 232.3±40.0 °C(Predicted)
比重(密度): 1.37 · 1.37±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): -2.75 · -2.75±0.10(Predicted)
外見: 個体
水溶解度: 水にわずかに溶ける。

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.