CAS 951753-87-0 5-Isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile (HCID 25019980)

名称と識別子

優先名称: 5-Isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile
IUPAC: 5-isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile
英語名: 5-isothiocyanato-3-(trifluoromethyl)picolinonitrile
分子式: C8H2F3N3S
分子量: 229.18

名称と別名

951753-87-05-isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrileRefChem:536490837-528-35-isothiocyanato-3-(trifluoromethyl)picolinonitrileMFCD183827425-Isothiocyanato-3-(trifluoromethyl)-picolinonitrileSCHEMBL9088402-Cyano-5-(isothiocyanato)-3-(trifluoromethyl)pyridine5-Isothiocyanato-3-(trifluoromethyl)-2-pyridinecarbonitrileApalutamide Impurity 115C8H2F3N3S

名称をさらに表示

951735-87-0Apalutamide Inter.Apalutamide Impurity 985-Isothiocyanato-3-(trifluoromethyl)2-cyanopyridine5-Isothiocyanato-2-cyano-3-(trifluoromethyl)pyridine5-isothiocyanato-3- (trifluoromethyl) pyridine-2-cyano2-Pyridinecarbonitrile, 5-isothiocyanato-3-(trifluoromethyl)-

9SY95P8P87AT1780AT17809AC-31087AS-84072SY129080DB-203271F567690

データベース識別子

CAS: 951753-87-0
PubChem CID: 25019980
UNII: 9SY95P8P87
EC Number: 837-528-3

物性

構造計算による物性

XLogP: 3.2
極性表面積: 81.1 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 326

物理化学的性質

沸点: 367.7 · 367.7±42.0 °C(Predicted)
比重(密度): 1.41 · 1.41±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, stored under nitrogen
酸解離定数(Pka): -5.54 · -5.54±0.21(Predicted)
InChI: InChI=1S/C8H2F3N3S/c9-8(10,11)6-1-5(14-4-15)3-13-7(6)2-12/h1,3H
InChIKey: NQNLQGJLAVDALO-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=C(N=C=S)C=C1C(F)(F)F

化学的性質

化学的特性Light yellow to brown powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (50%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野

使用5-isothiocyanato-3-(trifluoromethyl)picolinonitrile is a useful research chemical compound.

上流・下流製品情報

上流原料

5-Amino-3-(trifluoromethyl)picolinonitrile 5-ニトロ-3-(トリフルオロメチル)-2(1H)-ピリジノン 3-トリフルオロメチルピリジン 3-(トリフルオロメチル)-2-ピリドン 3-(trifluoromethyl)pyridine 1-oxide 5-Nitro-3-trifluoroMethylpyridine-2-carbonitrile 6-Chloro-N-(4-methoxybenzyl)-5-(trifluoromethyl)pyridin-3-amine 5-((4-Methoxybenzyl)amino)-3-(trifluoromethyl)picolinonitrile 3-(Trifluoromethyl)-2-pyridinecarbonitrile 5-Iodo-3-(trifluoromethyl)-2(1H)-pyridinone 2-クロロ-5-ヨード-3-(トリフルオロメチル)ピリジン二塩化チオカルボニル

下流製品

アパルタミド

サプライヤー100 社

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

化合物ノート

読み込み中…

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

基本情報