1-エチニル-4-フェノキシベンゼン

1-Ethynyl-4-phenoxybenzene

HCID 12788024

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 4200-06-0
標準SMILES: C#Cc1ccc(Oc2ccccc2)cc1
InChIKey: LKMNQDOAPYPSNH-UHFFFAOYSA-N
分子式: C14H10O
平均分子量: 194.23 g/mol
単同位体質量: 194.07316494

名称と識別子

優先名称: 1-Ethynyl-4-phenoxybenzene
IUPAC: 1-ethynyl-4-phenoxybenzene
現地名: 1-エチニル-4-フェノキシベンゼン
英語名: 1-Ethynyl-4-phenoxybenzene
分子式: C14H10O
分子量: 194.23

名称と別名

1-Ethynyl-4-phenoxybenzene4200-06-0DTXSID40509865RefChem:230458DTXCID70460672626-025-24'-Phenoxyphenyl acetyleneMFCD038399921-ethynyl-4-phenoxy-benzeneSCHEMBL3090421-Ethynyl-4-phenoxybenzene, 97%AB91834

名称をさらに表示

1-エチニル-4-フェノキシベンゼンフェニル(4-エチニルフェニル)エーテルフェニル4-エチニルフェニルエーテル1-フェノキシ-4-エチニルベンゼン(4-フェノキシフェニル)アセチレン4-フェノキシフェニルエチン-4-phenoxybenzene(4-Phenyloxyphenyl)ethyne1-Ehynyl-4-phenoxybenzene1-(4-ethynylphenoxy)benzeneBenzene, 1-ethynyl-4-phenoxy-1-Ethynyl-4-phenoxybenzene 97%1-ETHYNYL-4-(METHYLTHIO)-BENZENE1-ethynyl-4-(methylsulfanyl)benzene

EN300-236440F2108-0336SCHEMBL1856740AKOS005208482AS-58867FE142661SY269900DB-012642

データベース識別子

CAS: 4200-06-0
PubChem CID: 12788024
DTXSID: DTXSID40509865
EC Number: 626-025-2
Nikkaji: J652.817A

物性

構造計算による物性

XLogP: 3.7
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 223

物理化学的性質

融点: 284 ℃ · 284℃ (decomposition)
沸点: 90 · 90-95 °C0.4 mm Hg(lit.)
比重(密度): 1.074 g/mL · 1.074 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.6060(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Store at room temperature
InChI: 1S/C14H10O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h1,3-11H
InChIKey: LKMNQDOAPYPSNH-UHFFFAOYSA-N
SMILES: C#Cc1ccc(Oc2ccccc2)cc1

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 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.