CAS 319-03-9 1,3-Isobenzofurandione, 5-fluoro- (HCID 67572)

Names & identifiers

Preferred name: 1,3-Isobenzofurandione, 5-fluoro-
IUPAC: 5-fluoro-2-benzofuran-1,3-dione
English name: 5-Fluoro-1,3-isobenzofurandione
Molecular formula: C8H3FO3
Molecular weight: 166.11

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 238

Experimental & physicochemical properties

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 75 · 75-79 °C (lit.)
Boiling point: 148 °C · 148°C 20mm
Density: 1.55 · 1.55
Flash point: 93 °C · >93°C
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: Soluble in sodium hydroxide.
form: powder to crystal
color: White to Almost white
Sensitive: Moisture Sensitive
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 DataBase Reference: 319 · 319-03-9(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1,3-Isobenzofurandione, 5-fluoro- (319-03-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H319-H335
Precautionary statements: 301 · P301+P310+P330-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-36/37/38-42/43
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 2 · 2
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: IRRITANT, MOISTURE SENSITIVE
PackingGroup: Ⅲ
HS Code: 29173990 · 29173990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 6 items

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]

Hazard information

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

Hazard Classes and CategoriesAcute Tox. 3 (86.7%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 2
tsca: TSCA listed
ridadr: UN 2811 6.1/PG 3
hs_code: 29173990
risk_code: 22-36/37/38-42/43
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: IRRITANT, MOISTURE SENSITIVE
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: Ⅲ
target organs: Respiratory system
Hazard statements: H301-H315-H319-H335
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P301+P310+P330-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

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

Applications · 3 items

Uses4-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.

Uses4-Fluorophthalic anhydride can be used as a reactant to prepare: 4-amino substituted phthalimides applicable as potential fluorescent probes and fluorescent bioactive compounds. 4,4′-bis(4-fluorophthalimido)diphenyl ether monomer, which is used in the synthesis of cardo polymers via nucleophilic substitution polymerization reaction.Asymmetric polyimides by a solution polycondensation reaction.

General Description4-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.