1-(2-Fluoro(1,1'-biphenyl)-4-yl)ethan-1-one

HCID 6451918CAS 42771-79-9
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)c1ccc(-c2ccccc2)c(F)c1
InChIKey
ZLKQQDFLPVWFDT-UHFFFAOYSA-N
Molecular formula
C14H11FO
Average molar mass
214.23 g/mol
Monoisotopic mass
214.07939313

Names & identifiers

Preferred name
1-(2-Fluoro(1,1'-biphenyl)-4-yl)ethan-1-one
IUPAC
1-(3-fluoro-4-phenylphenyl)ethanone
English name
4-Acetyl-2-fluorobiphenyl
Molecular formula
C14H11FO
Molecular weight
214.23

Names & synonyms

1-(2-fluoro[1,1'-biphenyl]-4-yl)ethan-1-one1-(2-Fluoro(1,1'-biphenyl)-4-yl)ethan-1-oneRefChem:42198342771-79-94-ACETYL-2-FLUOROBIPHENYL1-(2-Fluoro-1,1'-biphenyl-4-yl)ethanoneFlurbiprofen EP Impurity D1-(3-fluoro-4-phenylphenyl)ethanoneMFCD001276981-(2-Fluoro[1,1'-biphenyl]-4-yl)ethanone1-(3-fluoro-4-phenylphenyl)ethan-1-one1-(2-Fluoro-[1,1'-biphenyl]-4-yl)ethanone
Show more names
FlurBiprofen impurity 44-ACETYL-2-FLUOROBPHENYL2-Fluoro-4-acetylbiphenyl3-Fluoro-4-phenyl acetophenoneFlurbiprofen Impurity 4（EP Impurity D）
KYS31UY2IQ1-(2-Fluoro-biphenyl-4-yl)-ethanone1-(2-Fluoro-[1,1'-biphenyl]-4-yl)ethan-1-one3'-Fluoro-4'-phenylacetophenone1-(2-Fluoro(1,1-biphenyl)-4-yl)ethan-1-one1-{2-fluoro-[1,1'-biphenyl]-4-yl}ethan-1-oneEINECS 255-935-9UNII-KYS31UY2IQ

Database identifiers

CAS
42771-79-9
PubChem CID
6451918
DTXSID
DTXSID00195425
UNII
KYS31UY2IQ
EC Number
255-935-9
Nikkaji
J309.969E

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

Physicochemical properties

Melting point
94 · 94-95 °C
Boiling point
321.8 · 321.8±22.0 °C(Predicted)
Density
1.124 · 1.124±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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

P264, P270, P301+P317, P330, 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

wgk
WGK 3
hs_code
2914790090
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H315-H319-H335

Chemistry & industry

Applications

Uses4-Acetyl-2-fluorobiphenyl is an impurity of Flurbiprofen (F598700), an anti-inflammatory used as an analgesic.

Upstream & downstream products

Suppliers50 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]

Related reactions

5 records
New reaction record

Linked notes

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