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1,4-Diphenyl-1,4-butanedione

1,4-Diphenyl-1,4-butanedione structure

CAS No:
495-71-6
Formula:
C16H14O2
Chemical Name:
1,4-Diphenyl-1,4-butanedione
Synonyms:
1,4-Butanedione,1,4-diphenyl-;1,4-Diphenyl-1,4-butanedione;Biphenacyl;Ethane,1,2-dibenzoyl-;2,2′′-Biacetophenone;1,2-Dibenzoylethane;Dibenzoylethane;1,4-Diphenyl-1,4-butadione;1,4-Dioxo-1,4-diphenylbutane;NSC 402168
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1,4-Diphenyl-1,4-butanedione Basic Attributes

Molecular Weight：

238.28100

Exact Mass：

238.28

NSC Number：

402168

DSSTox ID：

DTXSID30197811

HScode：

2914399090

Characteristics

PSA：

34.14000

XLogP3：

3.53240

Density：

1.116 g/cm3

Melting Point：

144-145 °C

Boiling Point：

260 °C / 15mmHg

Flash Point：

152.5ºC

Refractive Index：

1.574

Water Solubility：

Soluble in acetone. Insoluble in water.

Safety Information

safety instructions：

S22-S24/25

1,4-Diphenyl-1,4-butanedione Use and Manufacturing

It is effective in inhibiting the in vivo mammary DMBA-DNA adduct formation. This inhibitory effect on mammary DNA adduct formation was associated with increased liver activities of glutathione S-transferase, QR, and 7-ethoxyresorufin-O-deethylase.

Computed Properties

Molecular Weight:238.28
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:238.099379685
Monoisotopic Mass:238.099379685
Topological Polar Surface Area:34.1
Heavy Atom Count:18
Complexity:254
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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495-71-6 1,4-diphenylbutane-1,4-dione

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Latest News on 1,4-Diphenyl-1,4-butanedione

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Guide of 1,4-Diphenyl-1,4-butanedione

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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1,4-Diphenyl-1,4-butanedione

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