2,2-Bis(4-fluorophenyl)acetic acid

HCID 13511684CAS 361-63-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIKey
MCDCIWAVBWPRSP-UHFFFAOYSA-N
Molecular formula
C14H10F2O2
Average molar mass
248.22 g/mol
Monoisotopic mass
248.064886

Names & identifiers

Preferred name
2,2-Bis(4-fluorophenyl)acetic acid
IUPAC
2,2-bis(4-fluorophenyl)acetic acid
English name
Bis(4-fluorophenyl)acetic acid
Molecular formula
C14H10F2O2
Molecular weight
248.23

Names & synonyms

2,2-bis(4-fluorophenyl)acetic acid361-63-7Bis(4-fluorophenyl)acetic acidMFCD09743811bis(4-fluorophenyl) acetic acidSCHEMBL67656bis(4-fluoro phenyl)acetic acidDTXSID70542629bis-(4-fluorophenyl)-acetic acidMCDCIWAVBWPRSP-UHFFFAOYSA-NAKOS005063521AS-61641
Show more names
Bis-(4-Fluororphenyl)-Acetic AcidBenzeneacetic acid, 4-fluoro-α-(4-fluorophenyl)-
SY335135CS-0060237W17756F603186

Database identifiers

CAS
361-63-7
PubChem CID
13511684
DTXSID
DTXSID70542629

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18

Physicochemical properties

Melting point
138 °C · 138 °C
Boiling point
347.1 · 347.1±32.0 °C(Predicted)
Density
1.312 · 1.312±0.06 g/cm3(Predicted)
storage temp.
Store at room temperature
pka
4.75 · 4.75±0.10(Predicted)
Appearance
White to off-white Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers26 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070

Related reactions

53 records
New reaction record

Linked notes

Loading…