1,3-Isobenzofurandione, 5-fluoro- (HCID 67572)

名称と識別子

優先名称: 1,3-Isobenzofurandione, 5-fluoro-
IUPAC: 5-fluoro-2-benzofuran-1,3-dione
現地名: 4-フルオロフタル酸無水物
英語名: 5-Fluoro-1,3-isobenzofurandione
分子式: C8H3FO3
分子量: 166.11

名称と別名

4-Fluorophthalic anhydride319-03-95-Fluoro-2-benzofuran-1,3-dione1,3-Isobenzofurandione, 5-fluoro-5-FLUORO-1,3-DIHYDRO-2-BENZOFURAN-1,3-DIONEDTXSID7059802NSC 42091RefChem:415091DTXCID8038437629-042-3923-092-2InChI=1/C8H3FO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3

名称をさらに表示

4-フルオロフタル酸無水物4‐フルオロフタル酸無水物無水4-フルオロフタル酸5-フルオロイソベンゾフラン-1,3-ジオン5-フルオロ-1,3-イソベンゾフランジオン5-フルオロ-1,3-ジヒドロ-2-ベンゾフラン-1,3-ジオン4-FPA4-Fluorophthalic4-Fluorophthalicanhydride97%4-FluorophthalicAnhydride>5-fluoro-3-isobenzofurandione4-Fluorophthalicanhydride,98%4-Fluor-phthalsaeure-anhydrid4-Fluorophthalic anhydride 97%4-Fluorophthalic anhydride,99%

5-Fluoroisobenzofuran-1,3-dione5-Fluoro-1,3-isobenzofurandione4-fluorophthalic acid anhydrideMFCD001913634-fluorobenzene-1,2-dicarboxylic anhydride5-Fluoro-isobenzofuran-1,3-dione4-fluorophthalicanhydrideNSC42091

データベース識別子

CAS: 319-03-9
PubChem CID: 67572
DTXSID: DTXSID7059802
EC Number: 629-042-3、923-092-2
Nikkaji: J534.089F

物性

構造計算による物性

XLogP: 1.4
極性表面積: 43.4 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: 0
重原子数: 12
形式電荷: 0
複雑度: 238

実験および物理化学的性質

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

物理化学的性質

融点: 75 · 75-79 °C (lit.)
沸点: 148 °C · 148°C 20mm
比重(密度): 1.55 · 1.55
闪点: 93 °C · >93°C
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
溶解性: 水酸化ナトリウムに可溶。
外見: powder to crystal
色: White to Almost white
BRN: 131281 · 131281
InChI: InChI=1S/C8H3FO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
InChIKey: XVMKZAAFVWXIII-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(F)C=C2)C(=O)O1
CAS データベース: 319 · 319-03-9(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,3-Isobenzofurandione, 5-fluoro- (319-03-9)

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 · 6 件

Danger

H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 3 (86.7%)

安全データ

wgk: 2
tsca: TSCA listed
ridadr: UN 2811 6.1/PG 3
hs_code: 29173990
risk_code: 22-36/37/38-42/43
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: IRRITANT, MOISTURE SENSITIVE
packing_group: Ⅲ
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

General Manufacturing Information1,3-Isobenzofurandione, 5-fluoro-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用4-Fluorophthalic anhydride is used in the preparation of 5-fluoro-2-pyridin-3-ylmethyl-isoindole-1,3-dione by reacting with C-pyridin-3-yl-methylamine.

一般的な説明4-Fluorophthalic anhydride is a fluorinated building block commonly used in chemical synthesis for the preparation of polyimide, pesticides, herbicides, and fungicides. It can be synthesized by treating 4-chlorophthalic anhydride with potassium fluoride.