3-(1,1,2,2-テトラフルオロエトキシ)ベンズアルデヒド

Benzaldehyde, 3-(1,1,2,2-tetrafluoroethoxy)-

HCID 118803CAS 35295-35-3

部分構造検索類似構造を探す

基本情報

標準SMILES: O=Cc1cccc(OC(F)(F)C(F)F)c1
InChIKey: LAFOZKQZOGJYKC-UHFFFAOYSA-N
分子式: C9H6F4O2
平均分子量: 222.14 g/mol
単同位体質量: 222.03039231

名称と識別子

優先名称: Benzaldehyde, 3-(1,1,2,2-tetrafluoroethoxy)-
IUPAC: 3-(1,1,2,2-tetrafluoroethoxy)benzaldehyde
現地名: 3-(1,1,2,2-テトラフルオロエトキシ)ベンズアルデヒド
英語名: 3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde
分子式: C9H6F4O2
分子量: 222.14

名称と別名

3-(1,1,2,2-Tetrafluoroethoxy)benzaldehydeBenzaldehyde, 3-(1,1,2,2-tetrafluoroethoxy)-m-(1,1,2,2-Tetrafluoroethoxy)benzaldehydeEINECS 252-496-5RefChem:561339252-496-535295-35-3MFCD00039574VJ2NZ9XZY53-(1,1,2,2-tetrafluoroethoxy)-benzaldehyde3-Tetrafluoroethoxybenzaldehyde3-(2H-TETRAFLUOROETHOXY)BENZALDEHYDE

名称をさらに表示

3-(1,1,2,2-テトラフルオロエトキシ)ベンズアルデヒドAKOS B014013ART-CHEM-BB B014013(1,1,2,2-Tetrafluoroethoxy)benzaldehyde3-(2H-Tetrafluoroethoxy)benzaldehyde95%3-(1,1,2,2-TETRAFLUOROETHOXY)BENZALDEHY&3-(2H-Tetrafluoroethoxy)benzaldehyde 95%

hfe-894caUNII-VJ2NZ9XZY5SCHEMBL896842orb1986476SCHEMBL2515193DTXSID2067907SBB020833AKOS000308656

データベース識別子

CAS: 35295-35-3
PubChem CID: 118803
DTXSID: DTXSID2067907
UNII: VJ2NZ9XZY5
EC Number: 252-496-5
Nikkaji: J260.575I

物性

構造計算による物性

XLogP: 3
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: 6
回転可能結合数: 4
重原子数: 15
形式電荷: 0
複雑度: 220

物理化学的性質

沸点: 95 · 95-97°C 9mm
比重(密度): 1.393 g/mL · 1.393 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.454(lit.)
闪点: 216 °F · 216 °F
外見: 液体
比重: 1.393 · 1.393
CAS データベース: 35295 · 35295-35-3(CAS DataBase Reference)
EPAの化学物質情報: 3 · Benzaldehyde, 3-(1,1,2,2-tetrafluoroethoxy)- (35295-35-3)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzaldehyde, 3-(1,1,2,2-tetrafluoroethoxy)-

S - indicates a substance that is identified in a final Significant New Use Rule.

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29130000
risk_code: 36/37/38
hazard_code: Xi,T
safety_code: 26-37/39
hazard_class: TOXIC

化学と産業

用途と製造

General Manufacturing InformationBenzaldehyde, 3-(1,1,2,2-tetrafluoroethoxy)-: INACTIVE

応用分野

使用3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde may be used in the preparation of novel series of substituted N-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]-N-(3-phenoxyphenyl)-trifluoro-3-amino-2-propanols.