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3-BROMO-2-COUMARANONE

3-BROMO-2-COUMARANONE structure

CAS No:
115035-43-3
Formula:
C8H5BrO2
Chemical Name:
3-BROMO-2-COUMARANONE
Synonyms:
3-BROMO-2-COUMARANONE;3-Brom-2-cumaranon;3-Bromo-2-coumaranone 95%;3-bromo-3H-1-benzofuran-2-one

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3-BROMO-2-COUMARANONE Basic Attributes

Molecular Weight：

213.03

Exact Mass：

211.94700

DSSTox ID：

DTXSID70393057

HScode：

2932209090

Characteristics

PSA：

26.3

XLogP3：

2.04160

Density：

1.768±0.06 g/cm3(Predicted)

Melting Point：

107-109 °C(lit.)

Boiling Point：

236.5±39.0 °C(Predicted)

Flash Point：

96.8ºC

Refractive Index：

1.639

Water Solubility：

ethyl acetate: soluble25mg/mL, clear, colorless to yellow

Storage Conditions：

2-8°C

Vapor Pressure：

0.0472mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Computed Properties

Molecular Weight:213.03
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Exact Mass:211.94729
Monoisotopic Mass:211.94729
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:181
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-BROMO-2-COUMARANONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-BROMO-2-COUMARANONE

SDS

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