1,3-Propanedione, 1,3-bis(4-fluorophenyl)-

HCID 73896

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Basic information

CAS: 1493-51-2
Standard SMILES: O=C(CC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIKey: MMDLTXGEZNHAOV-UHFFFAOYSA-N
Molecular formula: C15H10F2O2
Average molar mass: 260.23 g/mol
Monoisotopic mass: 260.064886

Names & identifiers

Preferred name: 1,3-Propanedione, 1,3-bis(4-fluorophenyl)-
IUPAC: 1,3-bis(4-fluorophenyl)propane-1,3-dione
English name: 1,3-Bis(4-fluorophenyl)-1,3-propanedione
Molecular formula: C15H10F2O2
Molecular weight: 260.24

Names & synonyms

1,3-bis(4-fluorophenyl)propane-1,3-dione1493-51-21,3-Propanedione, 1,3-bis(4-fluorophenyl)-1,3-Bis(4-fluorophenyl)-1,3-propanedioneDTXSID6061731RefChem:415706DTXCID7034838873-600-0MFCD000544671,3-Bis(4-fluorophenyl)-1,3-propandione1,3-Propanedione,1,3-bis(4-fluorophenyl)-SCHEMBL2491432

Show more names

1,3-Bis(4-fluorophenyl)propane-1,3-dione - [B94365]

SBB022757STK349970AKOS000311301NCGC00339705-01BS-42506CS-0240789ST450990021,3-Bis-(4-fluoro-phenyl)-1,3-propandione

Database identifiers

CAS: 1493-51-2
PubChem CID: 73896
DTXSID: DTXSID6061731
EC Number: 873-600-0
Nikkaji: J421.574E

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 295

Physicochemical properties

EPA Substance Registry System: 1 · 1,3-Propanedione, 1,3-bis(4-fluorophenyl)- (1493-51-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
TSCA: TSCA listed
HS Code: 2914790090 · 2914790090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)

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

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
hs_code: 2914790090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362