2,3,5,6-Tetrafluoroterephthalaldehyde

HCID 10420501CAS 3217-47-8

基本情報

標準SMILES: O=Cc1c(F)c(F)c(C=O)c(F)c1F
InChIKey: WJHRAPYKYJKACM-UHFFFAOYSA-N
分子式: C8H2F4O2
平均分子量: 206.09 g/mol
単同位体質量: 205.99909218

名称と識別子

優先名称: 2,3,5,6-Tetrafluoroterephthalaldehyde
IUPAC: 2,3,5,6-tetrafluoroterephthalaldehyde
英語名: 2,3,5,6-Tetrafluoroterephthalaldehyde
分子式: C8H2F4O2
分子量: 206.09

名称と別名

2,3,5,6-tetrafluoroterephthalaldehyde3217-47-8DTXSID20439595RefChem:244137DTXCID40390417889-492-3tetrafluoroterephthaldehyde2,3,5,6-tetrafluorobenzene-1,4-dicarbaldehydeMFCD08704256tetrafluoroterephthalic aldehydeC8H2F4O2tetrafluoroterephthalaldehyde

名称をさらに表示

2,3,5,6-Tetrafluorotelephtal aldehydeTetrafluoro-p-phthalaldehyde2,3,5,6-TETRAFLUOROTEREPHTHALALDEHY2,3,5,6-Tetrafluoro-p-dibenzaldehydetetrafluoroparabenzenedimethylaldehyde2,3,5,6-tetrafluoro-1,4-Benzenedicarboxaldehyde

SCHEMBL809345AC-775AKOS015912799BS-16991D78129YSZC013WJHRAPYKYJKACTetrafluoroterephtalic aldehyde

データベース識別子

CAS: 3217-47-8
PubChem CID: 10420501
DTXSID: DTXSID20439595
EC Number: 889-492-3
Nikkaji: J1.956.149F

物性

構造計算による物性

XLogP: 1.2
極性表面積: 34.1 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: 2
重原子数: 14
形式電荷: 0
複雑度: 195

物理化学的性質

融点: 130 · 130-132℃
沸点: 252.6 · 252.6±40.0 °C(Predicted)
比重(密度): 1.59 · 1.590±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C8H2F4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-2H
InChIKey: WJHRAPYKYJKACM-UHFFFAOYSA-N
SMILES: C1(C=O)=C(F)C(F)=C(C=O)C(F)=C1F

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2912190090

化学と産業

応用分野

使用Tetrafluoroterephthaldehyde is useful in the synthesis of highly fluoro-substituted covalent organic frameworks.

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