2-(トリフルオロメチル)イミダゾ[1,2-A]ピラジン

2-(Trifluoromethyl)imidazo[1,2-a]pyrazine

HCID 3231306CAS 109113-96-4

部分構造検索類似構造を探す

基本情報

標準SMILES: FC(F)(F)c1cn2ccncc2n1
InChIKey: GZOZMIOBJGXNBA-UHFFFAOYSA-N
分子式: C7H4F3N3
平均分子量: 187.12 g/mol
単同位体質量: 187.03573179

名称と識別子

優先名称: 2-(Trifluoromethyl)imidazo[1,2-a]pyrazine
IUPAC: 2-(trifluoromethyl)imidazo[1,2-a]pyrazine
現地名: 2-(トリフルオロメチル)イミダゾ[1,2-A]ピラジン
英語名: 2-(Trifluoromethyl)imidazol[1,2-a]pyrazine
分子式: C7H4F3N3
分子量: 187.12

名称と別名

2-(trifluoromethyl)imidazo[1,2-a]pyrazine109113-96-4DTXSID103905002-(trifluoromethyl)imidazo(1,2-a)pyrazineRefChem:254919DTXCID20341361823-734-02-(TRIFLUOROMETHYL)-IMIDAZO[1,2-A]PYRAZINEMFCD052488782-(TRIFLUOROMETHYL)IMIDAZOL[1,2-A]PYRAZINESCHEMBL108852CS-B1219

名称をさらに表示

2-(トリフルオロメチル)イミダゾ[1,2-A]ピラジンImidazo[1,2-a]pyrazine, 2-(trifluoromethyl)-

AKOS005255618AB216872-Trifluoromethyl-imidazo[1,2-a]pyrazineAS-42755DB-0139432-(trifluoromethyl)imidazo[1,2-alpha]pyrazineEN300-2265662-(trifluoromethyl) imidazol [1,2-a] pyrazine

データベース識別子

CAS: 109113-96-4
PubChem CID: 3231306
DTXSID: DTXSID10390500
EC Number: 823-734-0

物性

構造計算による物性

XLogP: 1.6
極性表面積: 30.2 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: 194

物理化学的性質

比重(密度): 1.52 · 1.52
酸解離定数(Pka): 0.09 · 0.09±0.30(Predicted)
外見: solid
InChI: 1S/C7H4F3N3/c8-7(9,10)5-4-13-2-1-11-3-6(13)12-5/h1-4H
InChIKey: GZOZMIOBJGXNBA-UHFFFAOYSA-N
SMILES: FC(F)(F)c1nc2[n](c1)ccnc2

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (50%)

安全データ

wgk: WGK 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933998090
risk_code: 43
safety_code: 36/37
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 3 OralSkin Sens. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects