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1-(2-Amino[1,1′-biphenyl]-4-yl)ethanone

1-(2-Amino[1,1′-biphenyl]-4-yl)ethanone structure

CAS No:
42771-78-8
Formula:
C14H13NO
Chemical Name:
1-(2-Amino[1,1′-biphenyl]-4-yl)ethanone
Synonyms:
Ethanone,1-(2-amino[1,1′-biphenyl]-4-yl)-;1-(2-Amino[1,1′-biphenyl]-4-yl)ethanone;4-Acetyl-2-aminobiphenyl;3-Amino-4-phenylacetophenone;1-(3-Amino-4-phenylphenyl)ethan-1-one;1-(2-Amino[1,1′-biphenyl]-4-yl)ethan-1-one

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1-(2-Amino[1,1′-biphenyl]-4-yl)ethanone Basic Attributes

Molecular Weight：

211.25912

Exact Mass：

211.26

EC Number：

255-934-3

DSSTox ID：

DTXSID40195424

HScode：

2922399090

Characteristics

PSA：

43.1

XLogP3：

3.71960

Density：

1.12g/cm3

Boiling Point：

385.4ºC at 760mmHg

Flash Point：

186.9ºC

Refractive Index：

1.607

1-(2-Amino[1,1′-biphenyl]-4-yl)ethanone Use and Manufacturing

Methods of Manufacturing

Nitration with 4-bromoacetophenone with mixed acid to produce 4-bromo-3-nitroacetophenone, which is then condensed with iodobenzene under the action of copper powder to obtain 4-acetyl-2-nitrobiphenyl, which is then reduced to produce The product.

Uses

Intermediate of flurbiprofen.

Computed Properties

Molecular Weight:211.26
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:211.099714038
Monoisotopic Mass:211.099714038
Topological Polar Surface Area:43.1
Heavy Atom Count:16
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(2-Amino[1,1′-biphenyl]-4-yl)ethanone

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

1-(2-Amino[1,1′-biphenyl]-4-yl)ethanone

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