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1,4-Diacetylbenzene

1,4-Diacetylbenzene structure

CAS No:
1009-61-6
Formula:
C10H10O2
Chemical Name:
1,4-Diacetylbenzene
Synonyms:
Ethanone,1,1′-(1,4-phenylene)bis-;Benzene,p-diacetyl-;1,1′-(1,4-Phenylene)bis[ethanone];p-Diacetylbenzene;1,4-Diacetylbenzene;p-Acetylacetophenone;4′-Acetylacetophenone;NSC 295548;1,1′-(1,4-Phenylene)bis(ethan-1-one);1,1′-(1,4-Phenylene)diethanone;1-(4-Acetylphenyl)ethanone;1-(4-Acetylphenyl)ethan-1-one
Categories:
Chemical Reagents > Organic Reagents

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Description

ALMOST WHITE TO LIGHT BROWN CRYSTALLINE POWDER

1,4-Diacetylbenzene Basic Attributes

Molecular Weight：

162.188

Exact Mass：

162.19

EC Number：

213-769-4

NSC Number：

295548

DSSTox ID：

DTXSID7021657

HScode：

29143990

Characteristics

PSA：

34.1

XLogP3：

1.3

Density：

1.0613 (rough estimate)

Melting Point：

111-113 °C

Boiling Point：

115-120 °C @ Press: 2 Torr

Flash Point：

112.1ºC

Refractive Index：

1.5120 (estimate)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

22-24/25

1,4-Diacetylbenzene Use and Manufacturing

Manufacturing Info：

Ethanone, 1,1'-(1,4-phenylene)bis-: ACTIVE

Computed Properties

Molecular Weight:162.18
XLogP3:1.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:162.068079557
Monoisotopic Mass:162.068079557
Topological Polar Surface Area:34.1
Heavy Atom Count:12
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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