CAS 652-39-1 3-Fluorophthalic anhydride (HCID 69551)

Names & identifiers

Preferred name: 3-Fluorophthalic anhydride
IUPAC: 4-fluoro-2-benzofuran-1,3-dione
English name: 3-Fluorophthalic anhydride
Molecular formula: C8H3FO3
Molecular weight: 166.11

Names & synonyms

3-Fluorophthalic anhydride652-39-14-Fluoro-2-benzofuran-1,3-dioneEINECS 211-491-8DTXSID00215511NSC 402996RefChem:93973DTXCID30138002211-491-8InChI=1/C8H3FO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3WWJAZKZLSDRAIV-UHFFFAOYSA-N4-fluoroisobenzofuran-1,3-dione

Show more names

3-Fuorophthalic anhydride3-Flourophthalie anhydride5-FLUORO-ISOBENZOFURANDIONE3-Fluorophthalicanhydride98%3-FluorophthalicAnhydride>3-Fluorophthalic anhydride 98%3-FluorophthalicAnhydride,~97%

4-Fluoro-1,3-Isobenzofurandione3-fluorophthalicanhydrideMFCD000396961,3-Isobenzofurandione, 4-fluoro-fluorophthalic anhydride4-FLUORO-1,3-DIHYDRO-2-BENZOFURAN-1,3-DIONE3-fluorophthalic acid anhydride3-Fluorophthalic anhydride, 95%

Database identifiers

CAS: 652-39-1
PubChem CID: 69551
DTXSID: DTXSID00215511
ChEMBL: CHEMBL2270549
UNII: 82J53PB93D
EC Number: 211-491-8
Nikkaji: J205.935E

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 PropertiesChemical shift

Physicochemical properties

Melting point: 159 · 159-163 °C
Boiling point: 283 °C · 283°C(lit.)
Density: 1.4338 · 1.4338 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Benzene (Slightly), DMSO (Slightly)
form: Crystalline Powder
color: White to off-white
Water Solubility: insoluble
Sensitive: Moisture Sensitive
BRN: 1283580 · 1283580
InChI: InChI=1S/C8H3FO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H
InChIKey: WWJAZKZLSDRAIV-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C(F)=CC=C2)C(=O)O1
CAS DataBase Reference: 652 · 652-39-1(CAS DataBase Reference)
FDA UNII: 82 J53PB93D · 82J53PB93D
NIST Chemistry Reference: 3 · 3-Fluorophthalic anhydride(652-39-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H317-H319-H335
Precautionary statements: 280 · P280-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: 42 · 42/43-36/37/38-22
Safety Statements: 45 · 45-36/37/39-26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: IRRITANT, MOISTURE SENSITIVE
HS Code: 29173990 · 29173990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
hs_code: 29173990
risk_code: 42/43-36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 45-36/37/39-26-36
hazard_class: IRRITANT, MOISTURE SENSITIVE
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H317-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 4 items

Uses3-Fluorophthalic anhydride used in the preparation of substituted benzamides with potential neuroleptic activity.1

Uses3-Fluorophthalic Anhydride is used in the preparation of flubendiaminde insecticide.

Uses3-Fluorophthalic anhydride may be used in the preparation of substituted benzamides with potential neuroleptic activity. It may be employed as starting reagent for the synthesis of 8-fluoro-10-methyl-1,2-benzanthracene.

General Description3-Fluorophthalic anhydride undergoes reduction with NaBH4 to afford 4-fluorophthalide and 7-fluorophthalide. It can be synthesized starting from 3-nitrophthaloyl dichloride.