テトラフルオロフタル酸

3,4,5,6-Tetrafluorophthalic acid

HCID 69544CAS 652-03-9

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(O)c1c(F)c(F)c(F)c(F)c1C(=O)O
InChIKey: YJLVXRPNNDKMMO-UHFFFAOYSA-N
分子式: C8H2F4O4
平均分子量: 238.09 g/mol
単同位体質量: 237.98892142

名称と識別子

優先名称: 3,4,5,6-Tetrafluorophthalic acid
IUPAC: 3,4,5,6-tetrafluorophthalic acid
現地名: テトラフルオロフタル酸
英語名: Tetrafluorophthalic acid
分子式: C8H2F4O4
分子量: 238.09

名称と別名

Tetrafluorophthalic acid652-03-93,4,5,6-Tetrafluorophthalic acidEINECS 211-483-4DTXSID10215502RefChem:485674DTXCID70137993211-483-41,2-Benzenedicarboxylic acid, 3,4,5,6-tetrafluoro-MFCD00002407tetrafluorobenzene-1,2-dicarboxylic acid3,4,5,6-tetrafluorobenzene-1,2-dicarboxylic acid

名称をさらに表示

テトラフルオロフタル酸3,4,5,6-テトラフルオロフタル酸3，4，5，6‐テトラフルオロフタル酸テトラフルオロベンゼン-1,2-ジカルボン酸JACS-652-03-9RARECHEM AL BO 0016TetrafluorophthalicMoxifloxacin Impurity 82Moxifloxacin Impurity 95Tetrafluorophthalicacid98%6-Tetrafluorophthalic acid3,4,5,6-Tetrafluorophthalic

TetrafluorophthalicAcidSCHEMBL336394Tetrafluorophthalic acid, 98%IFLab1_001011SCHEMBL294499853,4,5,6-TETRAFLUORO-1,2-BENZENEDICARBOXYLIC ACIDHMS1414N213,4,5,6-tetrafluoro-phthalic acid

データベース識別子

CAS: 652-03-9
PubChem CID: 69544
DTXSID: DTXSID10215502
EC Number: 211-483-4
Nikkaji: J134.874D

物性

構造計算による物性

XLogP: 1.4
極性表面積: 74.6 Å²
水素結合供与体数: 2
水素結合受容体数: 8
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 280

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

物理化学的性質

融点: 152 · 152-154 °C(lit.)
沸点: 345.7 · 345.7±42.0 °C(Predicted)
比重(密度): 1.6239 · 1.6239 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: almost transparency in Methanol
外見: powder to crystal
酸解離定数(Pka): 1.28 · 1.28±0.10(Predicted)
色: White to Light yellow to Light orange
BRN: 2057012 · 2057012
InChI: InChI=1S/C8H2F4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)
InChIKey: YJLVXRPNNDKMMO-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=C(F)C(F)=C(F)C(F)=C1C(O)=O
CAS データベース: 652 · 652-03-9(CAS DataBase Reference)
NISTの化学物質情報: Tetrafluorophthalic acid(652-03-9)

化学的性質

化学的特性White to light yellow crystal powder

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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29173990
risk_code: 36/37/38-37/38-36
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Tetrafluorophthalic Acid, can be used as a starting material in the synthesis of various chemical compounds such as Perfluoroanthracene (P227605), a perfluorinated graded index polymer optical fiber (PFGI-POF) component.