CAS 386715-33-9 5-(Chloromethyl)-2-(trifluoromethyl)pyridine (HCID 2773810)

基本情報

CAS: 386715-33-9
標準SMILES: FC(F)(F)c1ccc(CCl)cn1
InChIKey: PRPAYPBERKUDKO-UHFFFAOYSA-N
分子式: C7H5ClF3N
平均分子量: 195.57 g/mol
単同位体質量: 195.0062615

名称と識別子

優先名称: 5-(Chloromethyl)-2-(trifluoromethyl)pyridine
IUPAC: 5-(chloromethyl)-2-(trifluoromethyl)pyridine
現地名: 5-(クロロメチル)-2-(トリフルオロメチル)ピリジン
英語名: Pyridine, 5-(chloromethyl)-2-(trifluoromethyl)- (9CI)
分子式: C7H5ClF3N
分子量: 195.57

名称と別名

5-(chloromethyl)-2-(trifluoromethyl)pyridine386715-33-9DTXSID10378727RefChem:101771DTXCID10329754640-114-3MFCD018626505-Chloromethyl-2-(trifluoromethyl)pyridine3-(chloromethyl)-6-(trifluoromethyl)pyridine2-(trifluoromethyl)-5-chloromethylpyridine3-chloromethyl-6-(trifluoromethyl)pyridinePYRIDINE, 5-(CHLOROMETHYL)-2-(TRIFLUOROMETHYL)-

名称をさらに表示

5-(クロロメチル)-2-(トリフルオロメチル)ピリジン5-(Chloromethyl)-2-(trifluoromethyl)pyridine97%Pyridine, 5-(chloromethyl)-2-(trifluoromethyl)- (9CI)5-Chloromethyl-2-(trifluoromethyl)pyridine, CAS 386715-33-9

2-(trifluoromethyl)-5-chloromethyl pyridine5-chloromethyl-2-trifluoromethyl-pyridine5-(chloromethyl)-2(trifluoromethyl)pyridineSCHEMBL345116SCHEMBL299956576-trifluoromethyl nicotinyl chlorideSBB091925AKOS005073341

データベース識別子

CAS: 386715-33-9
PubChem CID: 2773810
DTXSID: DTXSID10378727
EC Number: 640-114-3

物性

構造計算による物性

XLogP: 2.2
極性表面積: 12.9 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 148

物理化学的性質

沸点: 110 °C/19mm · 110°C/19mm
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C7H5ClF3N/c8-3-5-1-2-6(12-4-5)7(9,10)11/h1-2,4H,3H2
InChIKey: PRPAYPBERKUDKO-UHFFFAOYSA-N
SMILES: C1(C(F)(F)F)=NC=C(CCl)C=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H227 (33.3%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.