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1-(2-Thienyl)-1,3-butanedione

1-(2-Thienyl)-1,3-butanedione structure

CAS No:
3051-27-2
Formula:
C8H8O2S
Chemical Name:
1-(2-Thienyl)-1,3-butanedione
Synonyms:
1,3-Butanedione,1-(2-thienyl)-;1-(2-Thienyl)-1,3-butanedione;2-Thenoylacetone;Thenoylacetone;NSC 80371;1-(Thiophen-2-yl)butane-1,3-dione

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1-(2-Thienyl)-1,3-butanedione Basic Attributes

Molecular Weight：

168.213

Exact Mass：

168.21

UNII：

VT2LIU0K18

NSC Number：

80371

DSSTox ID：

DTXSID3062815

HScode：

2934999090

Characteristics

PSA：

62.38000

XLogP3：

2.11

Density：

1.2±0.1 g/cm3

Melting Point：

34 °C

Boiling Point：

129-131 °C @ Press: 8 Torr

Flash Point：

130.0±20.4 °C

Refractive Index：

1.538

Safety Information

safety instructions：

1-(2-Thienyl)-1,3-butanedione Use and Manufacturing

Manufacturing Info：

1,3-Butanedione, 1-(2-thienyl)-: INACTIVE

Computed Properties

Molecular Weight:168.21
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:168.02450067
Monoisotopic Mass:168.02450067
Topological Polar Surface Area:62.4
Heavy Atom Count:11
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(2-Thienyl)-1,3-butanedione

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

1-(2-Thienyl)-1,3-butanedione

SDS

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