3-Chloro-5-(trifluoromethyl)pyridine-2-carbonitrile

HCID 1473374CAS 80194-70-3

基本情報

標準SMILES: N#Cc1ncc(C(F)(F)F)cc1Cl
InChIKey: FUPKVFJSGNZICR-UHFFFAOYSA-N
分子式: C7H2ClF3N2
平均分子量: 206.55 g/mol
単同位体質量: 205.9858604

名称と識別子

優先名称: 3-Chloro-5-(trifluoromethyl)pyridine-2-carbonitrile
IUPAC: 3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile
英語名: 2-Cyano-3-chloro-5-(trifluoromethyl)-pyridine
分子式: C7H2ClF3N2
分子量: 206.55

名称と別名

80194-70-33-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile3-chloro-5-(trifluoromethyl)-2-pyridinecarbonitrileDTXSID10363032RefChem:500119DTXCID60314079810-198-83-Chloro-5-(trifluoromethyl)picolinonitrile2-CYANO-3-CHLORO-5-(TRIFLUOROMETHYL)-PYRIDINEMFCD006640663-Chloro-5-trifluoromethylpyridine-2-carbonitrile2-Cyano-3-chloro-5-trifluoromethylpyridine

名称をさらに表示

)-2-pyridine carbonitriL3-Chloro-5-(Trifluoromethylpicolinonitr2-Cyano-3-chloro-5-(trifluoromethyl)-pyridine ISO 9001：2015 REACH3-Chloro-2-cyano-5-(trifluoromethyl)pyridine, 3-Chloro-5-(trifluoromethyl)picolinonitrile

2-cyano-3-chloro-5-(trifluoromethyl)pyridine3-chloro-5-trifluoromethyl-pyridine-2-carbonitrile2-pyridinecarbonitrile, 3-chloro-5-(trifluoromethyl)-SCHEMBL7201363-CHLORO-2-CYANO-5-(TRIFLUOROMETHYL)PYRIDINESBB093735AKOS005069177AB06676

データベース識別子

CAS: 80194-70-3
PubChem CID: 1473374
DTXSID: DTXSID10363032
EC Number: 810-198-8
Nikkaji: J3.706.090I

物性

構造計算による物性

XLogP: 2.4
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: 0
重原子数: 13
形式電荷: 0
複雑度: 232

物理化学的性質

沸点: 108 · 108-110 °C(Press: 30 Torr)
比重(密度): 1.51 · 1.51±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: Chloroform (Sparingly), Methanol (Slightly)
外見: liquid
酸解離定数(Pka): -5.03 · -5.03±0.20(Predicted)
色: Yellow

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, 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.