CAS 151361-87-4 1-Ethynyl-3,5-difluorobenzene (HCID 4206806)

基本情報

CAS: 151361-87-4
標準SMILES: C#Cc1cc(F)cc(F)c1
InChIKey: OTDGZDMGSFBZLI-UHFFFAOYSA-N
分子式: C8H4F2
平均分子量: 138.11 g/mol
単同位体質量: 138.02810645

名称と識別子

優先名称: 1-Ethynyl-3,5-difluorobenzene
IUPAC: 1-ethynyl-3,5-difluorobenzene
現地名: 1-エチニル-3,5-ジフルオロベンゼン
英語名: 1-Ethynyl-3 5-difluorobenzene 97
分子式: C8H4F2
分子量: 138.11

名称と別名

1-Ethynyl-3,5-difluorobenzene151361-87-4DTXSID40400843RefChem:230437DTXCID30351698626-084-43,5-DifluorophenylacetyleneMFCD04039982BENZENE, 1-ETHYNYL-3,5-DIFLUORO-SCHEMBL3143171-ETHYNYL-3 5-DIFLUOROBENZENE 971-Ethynyl-3,5-difluorobenzene, 97%

名称をさらに表示

1-エチニル-3,5-ジフルオロベンゼン3,5-ジフルオロフェニルアセチレンEthynyl-[3,5-Difluorophenyl]ethyne1-Ethynyl-3,5-fluorobenzene3,5-Difluorophenylacetylene 97%1-acetylene-3, 5-difluorobenzene1-Ethynyl-3,5-difluorobenzene 97%Benzene, 1-ethynyl-3,5-difluoro- (9CI)1-Ethynyl-3,5-difluorobenzene - [E47323]

AB17470DS-13345SY0646801-ETHYNYL-3 5-DIFLUOROBENZENE 97E13521-ethynyl-3,5-difluoro-benzeneFT-0646925A18231

データベース識別子

CAS: 151361-87-4
PubChem CID: 4206806
DTXSID: DTXSID40400843
EC Number: 626-084-4
Nikkaji: J1.439.967D

物性

構造計算による物性

XLogP: 2.4
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 146

物理化学的性質

沸点: 123 · 123-124 °C (lit.)
比重(密度): 1.163 g/mL · 1.163 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.4910(lit.)
闪点: 78 °F · 78 °F
貯蔵温度: 2 · 2-8°C
外見: 液体
色: Colorless to Light orange to Yellow
InChI: InChI=1S/C8H4F2/c1-2-6-3-7(9)5-8(10)4-6/h1,3-5H
InChIKey: OTDGZDMGSFBZLI-UHFFFAOYSA-N
SMILES: C1(C#C)=CC(F)=CC(F)=C1

化学的性質

化学的特性light yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 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.