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2-Benzoylthiophene

2-Benzoylthiophene structure

CAS No:
135-00-2
Formula:
C11H8OS
Chemical Name:
2-Benzoylthiophene
Synonyms:
Methanone,phenyl-2-thienyl-;Ketone,phenyl 2-thienyl;Phenyl-2-thienylmethanone;Phenyl 2-thienyl ketone;2-Benzoylthiophene;α-Benzoylthiophene;2-Thienyl phenyl ketone;Phenyl(2-thienyl)methanone;NSC 4502;Phenyl thiophene-2-yl ketone
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

off-white to tan powder

2-Benzoylthiophene Basic Attributes

Molecular Weight：

188.25

Exact Mass：

188.25

BRN：

3929

EC Number：

205-169-6

NSC Number：

4502

DSSTox ID：

DTXSID30159191

HScode：

29349990

Characteristics

PSA：

45.3

XLogP3：

2.9

Appearance：

off-white to tan powder

Density：

1.2061 (rough estimate)

Melting Point：

56.5 °C

Boiling Point：

300 °C

Flash Point：

124-126°C/0.5mm

Refractive Index：

1.6181 (estimate)

Vapor Pressure：

0.00115mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S22-S24/25

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

2-Benzoylthiophene Use and Manufacturing

In organic synthesis.

Computed Properties

Molecular Weight:188.25
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:188.02958605
Monoisotopic Mass:188.02958605
Topological Polar Surface Area:45.3
Heavy Atom Count:13
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes