2-Amino-2'-fluorobenzophenone

HCID 74101
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Basic information

CAS
1581-13-1
Standard SMILES
Nc1ccccc1C(=O)c1ccccc1F
InChIKey
NRAJMXHXQHCBHO-UHFFFAOYSA-N
Molecular formula
C13H10FNO
Average molar mass
215.22 g/mol
Monoisotopic mass
215.07464216

Names & identifiers

Preferred name
2-Amino-2'-fluorobenzophenone
IUPAC
(2-aminophenyl)-(2-fluorophenyl)methanone
English name
2-Amino-2'-fluorobenzophenone
Molecular formula
C13H10FNO
Molecular weight
215.22

Names & synonyms

1581-13-1(2-Aminophenyl)(2-fluorophenyl)methanone2-Amino-2'-fluorobenzophenone(2-aminophenyl)-(2-fluorophenyl)methanone2-(2-fluorobenzoyl)anilineMethanone, (2-aminophenyl)(2-fluorophenyl)-Pitavastatin Impurity 83MFCD000077142-Aminophenyl)(2-fluorophenyl)methanone; 2-Amino-2'-fluorobenzophenoneEINECS 216-427-2A3482SCHEMBL5282720
Show more names
(2-azanylphenyl)-(2-fluorophenyl)methanone
SCHEMBL29664874NRAJMXHXQHCBHO-UHFFFAOYSA-DTXSID40166376Benzophenone, 2-amino-2'-fluoro-2-[(2-fluorophenyl)carbonyl]anilineAKOS005259586SB79465AS-91915

Database identifiers

CAS
1581-13-1
PubChem CID
74101
DTXSID
DTXSID40166376
EC Number
216-427-2
Nikkaji
J206.820F

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
43.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16

Physicochemical properties

Melting point
126 · 126-128℃
Boiling point
401.9 · 401.9±30.0 °C(Predicted)
Density
1.236 · 1.236±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly), Methanol (Slightly, Heated)
form
Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Chemistry & industry

Applications

Uses2-Amino-2''-fluorobenzophenone is an intermediate in the preparation of the anticholesteremic Pitavastatin.

Upstream & downstream products

Suppliers47 total

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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