Basic information
- CAS
82677-84-7- Standard SMILES
O=C(C#Cc1ccccc1)c1ccc(F)cc1- InChIKey
KGXLYUSMGFJWNJ-UHFFFAOYSA-N- Molecular formula
- C15H9FO
- Average molar mass
- 224.23 g/mol
- Monoisotopic mass
- 224.06374307
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-3-phenylprop-2-yn-1-one
- IUPAC
- 1-(4-fluorophenyl)-3-phenylprop-2-yn-1-one
- English name
- 1-(4-fluorophenyl)-3-phenyl-prop-2-yn-1-one
- Molecular formula
- C15H9FO
- Molecular weight
- 224.23
Names & synonyms
1-(4-fluorophenyl)-3-phenylprop-2-yn-1-one82677-84-7RefChem:425566866-412-51-(4-fluorophenyl)-3-phenyl-2-propyn-1-oneMFCD03249461UNM-00003060591-(4-fluorophenyl)-3-phenyl-prop-2-yn-1-one2-Propyn-1-one, 1-(4-fluorophenyl)-3-phenyl-SCHEMBL13284136BDBM54701cid_13200052
Show more names
ALBB-028040AKOS025116473LS-09740UNM0000110875013-phenyl-1-(4-fluorophenyl)prop-2-yn-1-oneH43828
Database identifiers
- CAS
82677-84-7- PubChem CID
- 13200052
- EC Number
- 866-412-5
- Nikkaji
- J1.331.870K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
南京世洲生物科技有限公司17301488900 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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