3-(ジフルオロメトキシ)ベンズアルデヒド

3-(Difluoromethoxy)benzaldehyde

HCID 2736985

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 85684-61-3
標準SMILES: O=Cc1cccc(OC(F)F)c1
InChIKey: HFIUSWPRDIPIPN-UHFFFAOYSA-N
分子式: C8H6F2O2
平均分子量: 172.13 g/mol
単同位体質量: 172.03358575

名称と識別子

優先名称: 3-(Difluoromethoxy)benzaldehyde
IUPAC: 3-(difluoromethoxy)benzaldehyde
現地名: 3-(ジフルオロメトキシ)ベンズアルデヒド
英語名: 3-(Difluoromethoxy)benzaldehyde
分子式: C8H6F2O2
分子量: 172.13

名称と別名

3-(Difluoromethoxy)benzaldehyde85684-61-3DTXSID80371745RefChem:275396DTXCID40322778640-222-0MFCD00236222Benzaldehyde, 3-(difluoromethoxy)-3-difluoromethoxybenzaldehyde3-difluoromethoxy-benzaldehydeSCHEMBL856123BBL011793

名称をさらに表示

3-(ジフルオロメトキシ)ベンズアルデヒドBenzaldehyde,3-(difluoroMethoxy)-3-(Difluoromethoxy)benzaldehyde98%1-(Difluoromethoxy)-3-formylbenzene3-(Difluoromethoxy)benzaldehyde 98%

CK2107AKOS000103757PS-8669SB85440SY062608AMY2983SCHEMBL29391855SBB064711

データベース識別子

CAS: 85684-61-3
PubChem CID: 2736985
DTXSID: DTXSID80371745
EC Number: 640-222-0

物性

構造計算による物性

XLogP: 2.8
極性表面積: 26.3 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: 3
重原子数: 12
形式電荷: 0
複雑度: 150

物理化学的性質

沸点: 80 · 80-90°C/0.3mm
比重(密度): 1.3 · 1.300
屈折率: 20 · n20/D 1.496(lit.)
闪点: 107 °C · 107 °C
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
外見: liquid
色: Colourless to light yellow
CAS データベース: 85684 · 85684-61-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 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.