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652-12-0 molecular structure
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tetrafluoro-1,3-dihydro-2-benzofuran-1,3-dione

ChemBase ID: 12135
Molecular Formular: C8F4O3
Molecular Mass: 220.0774128
Monoisotopic Mass: 219.97835674
SMILES and InChIs

SMILES:
Fc1c2c(c(c(c1F)F)F)C(=O)OC2=O
Canonical SMILES:
O=C1OC(=O)c2c1c(F)c(c(c2F)F)F
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

Cite this record

CBID:12135 http://www.chembase.cn/molecule-12135.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrafluoro-1,3-dihydro-2-benzofuran-1,3-dione
IUPAC Traditional name
tetrafluorophthalic anhydride
Synonyms
Tetrafluorophthalic anhydride
Tetrafluorophthalic anhydride
3,4,5,6-Tetrafluorophthalic anhydride 98%
四氟邻苯二甲酸酐
CAS Number
652-12-0
EC Number
211-485-5
MDL Number
MFCD00039697
PubChem SID
24860604
160975442
PubChem CID
69545

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9933914  LogD (pH = 7.4) 1.9933914 
Log P 1.9933914  Molar Refractivity 38.2306 cm3
Polarizability 13.698637 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
92-94°C expand Show data source
92-96°C expand Show data source
94-96 °C(lit.) expand Show data source
94-96°C expand Show data source
Storage Warning
IRRITANT, MOISTURE SENSITIVE expand Show data source
Irritant/Moisture Sensitive/Store under Argon expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C8F4O3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 339016 external link
包装
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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