CAS 219715-34-1 Pyridine, 2-methoxy-4-(trifluoromethyl)- (HCID 18539797)

基本情報

CAS: 219715-34-1
標準SMILES: COc1cc(C(F)(F)F)ccn1
InChIKey: BYGXVIBRFSQTPY-UHFFFAOYSA-N
分子式: C7H6F3NO
平均分子量: 177.12 g/mol
単同位体質量: 177.04014847

名称と識別子

優先名称: Pyridine, 2-methoxy-4-(trifluoromethyl)-
IUPAC: 2-methoxy-4-(trifluoromethyl)pyridine
現地名: 2-メトキシ-4-(トリフルオロメチル)ピリジン
英語名: 2-Methoxy-4-trifluoromethyl-pyridine
分子式: C7H6F3NO
分子量: 177.12

名称と別名

2-Methoxy-4-(trifluoromethyl)pyridine219715-34-1Pyridine, 2-methoxy-4-(trifluoromethyl)-DTXSID20889132EC 606-870-3RefChem:177580DTXCID9010284002-Methoxy-3-chlorosulfonyl-4-trifluoromethylpyridine606-870-32-Methoxy-4-trifluoromethyl-pyridineMFCD000969394-trifluoromethyl-2-methoxypyridine

名称をさらに表示

2-メトキシ-4-(トリフルオロメチル)ピリジンPyridine,2-methoxy-4-(trifluoromethyl)-2-Methoxy-4-trifluoromethyl-pyridine ISO 9001：2015 REACH

2-methoxy-4-(trifluoro-methyl)pyridineSCHEMBL677234SCHEMBL7053267SCHEMBL8563824SCHEMBL22653643SCHEMBL31121348JIXQQQNPNBUHQZ-UHFFFAOYSA-NAKOS005063436

データベース識別子

CAS: 219715-34-1
PubChem CID: 18539797
DTXSID: DTXSID20889132
EC Number: 606-870-3

物性

構造計算による物性

XLogP: 2
極性表面積: 22.1 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: 1
重原子数: 12
形式電荷: 0
複雑度: 148

実験および物理化学的性質

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

物理化学的性質

沸点: 172.9 · 172.9±40.0 °C(Predicted)
比重(密度): 1.263 · 1.263±0.06 g/cm3(Predicted)
蒸気圧: 7.398 · 7.398-7.399hPa at 25℃
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 1.04 · 1.04±0.10(Predicted)
EPAの化学物質情報: 2 · Pyridine, 2-methoxy-4-(trifluoromethyl)- (219715-34-1)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P303+P361+P353, P330, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 108 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.