CAS 3217-47-8 2,3,5,6-Tetrafluoroterephthalaldehyde (HCID 10420501)

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Basic information

CAS: 3217-47-8
Standard SMILES: O=Cc1c(F)c(F)c(C=O)c(F)c1F
InChIKey: WJHRAPYKYJKACM-UHFFFAOYSA-N
Molecular formula: C8H2F4O2
Average molar mass: 206.09 g/mol
Monoisotopic mass: 205.99909218

Names & identifiers

Preferred name: 2,3,5,6-Tetrafluoroterephthalaldehyde
IUPAC: 2,3,5,6-tetrafluoroterephthalaldehyde
English name: 2,3,5,6-Tetrafluoroterephthalaldehyde
Molecular formula: C8H2F4O2
Molecular weight: 206.09

Names & synonyms

2,3,5,6-tetrafluoroterephthalaldehyde3217-47-8DTXSID20439595RefChem:244137DTXCID40390417889-492-3tetrafluoroterephthaldehyde2,3,5,6-tetrafluorobenzene-1,4-dicarbaldehydeMFCD08704256tetrafluoroterephthalic aldehydeC8H2F4O2tetrafluoroterephthalaldehyde

Show more names

2,3,5,6-Tetrafluorotelephtal aldehydeTetrafluoro-p-phthalaldehyde2,3,5,6-TETRAFLUOROTEREPHTHALALDEHY2,3,5,6-Tetrafluoro-p-dibenzaldehydetetrafluoroparabenzenedimethylaldehyde2,3,5,6-tetrafluoro-1,4-Benzenedicarboxaldehyde

SCHEMBL809345AC-775AKOS015912799BS-16991D78129YSZC013WJHRAPYKYJKACTetrafluoroterephtalic aldehyde

Database identifiers

CAS: 3217-47-8
PubChem CID: 10420501
DTXSID: DTXSID20439595
EC Number: 889-492-3
Nikkaji: J1.956.149F

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 195

Physicochemical properties

Melting point: 130 · 130-132℃
Boiling point: 252.6 · 252.6±40.0 °C(Predicted)
Density: 1.59 · 1.590±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: White to light yellow Solid
InChI: InChI=1S/C8H2F4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-2H
InChIKey: WJHRAPYKYJKACM-UHFFFAOYSA-N
SMILES: C1(C=O)=C(F)C(F)=C(C=O)C(F)=C1F
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HS Code: 2912190090 · 2912190090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2912190090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P