5-Bromo-2-(trifluoromethyl)isonicotinonitrile

HCID 56973315

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1070892-04-4
標準SMILES: N#Cc1cc(C(F)(F)F)ncc1Br
InChIKey: XBGQKEABZCTRRT-UHFFFAOYSA-N
分子式: C7H2BrF3N2
平均分子量: 251 g/mol
単同位体質量: 249.93534482

名称と識別子

優先名称: 5-Bromo-2-(trifluoromethyl)isonicotinonitrile
IUPAC: 5-bromo-2-(trifluoromethyl)pyridine-4-carbonitrile
英語名: 5-bromo-2-(trifluoromethyl)isonicotinonitrile
分子式: C7H2BrF3N2
分子量: 251

名称と別名

5-bromo-2-(trifluoromethyl)isonicotinonitrileRefChem:533103841-741-71070892-04-45-bromo-2-(trifluoromethyl)pyridine-4-carbonitrileMFCD18261445SCHEMBL2992371DTXSID20719900AKOS016006671BS-14269SY261281CS-0128617

名称をさらに表示

5-BroMo-2-trifluoroMethyl-isonicotinonitri5-Bromo-2-(trifluoromethyl)-4-pyridinecarbonitrile4-Pyridinecarbonitrile, 5-bromo-2-(trifluoromethyl)-

F19809AMY169785-bromo-2-trifluoromethyl-isonicotinonitrileSCHEMBL296642155-Bromo-2-trifluoromethylisonicotinonitrileDB-0951685-bromo-2-(trifluoro methyl)isonicotinonitrileF607896

データベース識別子

CAS: 1070892-04-4
PubChem CID: 56973315
DTXSID: DTXSID20719900
EC Number: 841-741-7

物性

構造計算による物性

XLogP: 2.2
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: 254.1 · 254.1±40.0 °C(Predicted)
比重(密度): 1.81 · 1.81±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): -5.19 · -5.19±0.30(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, 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.