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1-(4'-Fluoro(1,1'-biphenyl)-4-yl)ethanone

HCID 608114
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
720-74-1
Standard SMILES
CC(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIKey
LGJJGWHKUXUJNR-UHFFFAOYSA-N
Molecular formula
C14H11FO
Average molar mass
214.23 g/mol
Monoisotopic mass
214.07939319

Names & identifiers

Preferred name
1-(4'-Fluoro(1,1'-biphenyl)-4-yl)ethanone
IUPAC
1-[4-(4-fluorophenyl)phenyl]ethanone
English name
1-(4'-Fluoro-biphenyl-4-yl)-ethanone
Molecular formula
C14H11FO
Molecular weight
214.23

Names & synonyms

720-74-11-(4'-Fluoro[1,1'-biphenyl]-4-yl)ethanone1-(4'-Fluoro(1,1'-biphenyl)-4-yl)ethanoneRefChem:10542231-(4'-Fluoro-biphenyl-4-yl)-ethanone1-[4-(4-fluorophenyl)phenyl]ethanone1-(4'-fluoro[1,1-biphenyl]-4-yl)ethanone1-(4'-fluorobiphenyl-4-yl)ethanone1-(4'-Fluoro-[1,1'-biphenyl]-4-yl)ethan-1-oneMFCD04039227Ethanone, 1-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-(4'-Fluoro-[1,1'-biphenyl]-4-yl)ethanone
Show more names
4'-(p-Fluorophenyl)acetophenone4'-fluoro-4-acetyl-1,1'-biphenyl?4'-fluoro-4-acetyl-1,1'-biphenyl
AKOS BAR-02081-(4'-fluoro-biphenyl-4-yl)ethanone4'-fluoro-4-acetylbiphenyl4-acetyl-4'-fluorobiphenyl4-Fluoro-4'-acetylbiphenylSCHEMBL4448294SCHEMBL115492824'-(4-fluorophenyl)acetophenone

Database identifiers

CAS
720-74-1
PubChem CID
608114
DTXSID
DTXSID70345930

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
235

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338
Hazard Codes
Xi
Hazard Note
Irritant
HS Code
2914790090 · 2914790090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2914790090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers5 total

河南东元化工科技有限公司16696119288 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

8 records
New reaction record
HRID 26715 reaction equation
HRID 26715As reactantuspto-grants-1979_04
HRID 945745 reaction equation
HRID 945745As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1204857 reaction equation
HRID 1204857As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1495019 reaction equation
HRID 1495019As productNiCOlit
HRID 1817669 reaction equation
HRID 1817669As productuspto-grants-2009_10
HRID 1817671 reaction equation
HRID 1817671As reactantuspto-grants-2009_10
HRID 2101230 reaction equation
HRID 2101230As productuspto-grants-2009_08
HRID 2101232 reaction equation
HRID 2101232As reactantuspto-grants-2009_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Nikkaji
J132.622H