Tetrafluorophthalic anhydride

HCID 69545

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Basic information

CAS: 652-12-0
Standard SMILES: O=C1OC(=O)c2c(F)c(F)c(F)c(F)c21
InChIKey: BJDDKZDZTHIIJB-UHFFFAOYSA-N
Molecular formula: C8F4O3
Average molar mass: 220.08 g/mol
Monoisotopic mass: 219.97835674

Names & identifiers

Preferred name: Tetrafluorophthalic anhydride
IUPAC: 4,5,6,7-tetrafluoro-2-benzofuran-1,3-dione
English name: Tetrafluorophthalic anhydride
Molecular formula: C8F4O3
Molecular weight: 220.08

Names & synonyms

Tetrafluorophthalic anhydride652-12-0DTXSID30215504EINECS 211-485-5RefChem:897044DTXCID90137995211-485-53,4,5,6-tetrafluorophthalic anhydride4,5,6,7-tetrafluoroisobenzofuran-1,3-dione4,5,6,7-tetrafluoro-2-benzofuran-1,3-dione1,3-isobenzofurandione, 4,5,6,7-tetrafluoro-Tetrafluorophthalicanhydride

Show more names

BeilsteinPTFE anhydridePTFE phthalic anhydride4,5,6,7-Tetrafluoro-1,3-dTetrafluorophathlic AnhydrideTetrafluorophthalic anhydride,97%Tetrafluorophthalic anhydrid, 97%Tetrafluoroisobenzofuran-1,3-dione

MFCD00039697SCHEMBL335922Tetrafluorophthalic anhydride, 97%3,4,5,6-Tetrafluorophtlic anhydrideTetrafluorophthC8F4O3FT-0632749tetrafluoro-1,3-dihydro-2-benzofuran-1,3-dione

Database identifiers

CAS: 652-12-0
PubChem CID: 69545
DTXSID: DTXSID30215504
ChEMBL: CHEMBL2270551
EC Number: 211-485-5
Nikkaji: J205.930D

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 291

Physicochemical properties

Melting point: 94 · 94-96 °C(lit.)
Boiling point: 332.6 · 332.6±42.0 °C(Predicted)
Density: 1.843 · 1.843±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, sealed storage, away from moisture
solubility: Soluble in most organic solvents and acetic acid.
form: Powder
color: Light grayish to beige
Sensitive: Moisture Sensitive
InChI: InChI=1S/C8F4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
InChIKey: BJDDKZDZTHIIJB-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C(F)=C(F)C(F)=C2F)C(=O)O1
CAS DataBase Reference: 652 · 652-12-0(CAS DataBase Reference)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 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

Safety & regulation

GHS classification

GHS Classification · 4 items

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 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.