1,3-Isobenzofurandione, 5-fluoro-

HCID 67572CAS 319-03-9

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Grundinformationen

Standard-SMILES: O=C1OC(=O)c2cc(F)ccc21
InChIKey: XVMKZAAFVWXIII-UHFFFAOYSA-N
Summenformel: C8H3FO3
Durchschnittliche Molmasse: 166,11 g/mol
Monoisotopische Masse: 166,00662218

Namen und Bezeichner

Bevorzugter Name: 1,3-Isobenzofurandione, 5-fluoro-
IUPAC: 5-fluoro-2-benzofuran-1,3-dione
Englischer Name: 5-Fluoro-1,3-isobenzofurandione
Summenformel: C8H3FO3
Molmasse: 166.11

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 238

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 75 · 75-79 °C (lit.)
Siedepunkt: 148 °C · 148°C 20mm
Dichte: 1.55 · 1.55
Flammpunkt: 93 °C · >93°C
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: Soluble in sodium hydroxide.
Aggregatzustand: powder to crystal
Farbe: 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 Datenbank: 319 · 319-03-9(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,3-Isobenzofurandione, 5-fluoro- (319-03-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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]

Gefahrenhinweise

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

Hazard Classes and CategoriesAcute Tox. 3 (86.7%)

Sicherheitsdaten

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
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen

Verwenden4-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.