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α-Bromocinnamaldehyde

α-Bromocinnamaldehyde structure

CAS No:
5443-49-2
Formula:
C9H7BrO
Chemical Name:
α-Bromocinnamaldehyde
Synonyms:
2-Propenal,2-bromo-3-phenyl-;Cinnamaldehyde,α-bromo-;2-Bromo-3-phenyl-2-propenal;B 37;Alphabrocine;α-Bromocinnamaldehyde;α-Bromocinnamic aldehyde;2-Bromocinnamaldehyde;B 36;NSC 19806;2-Bromo-3-phenylacrolein;α-Bromocinnamal;2-Bromo-3-phenylacrylaldehyde
Categories:
Cosmetic Ingredient > Fragrance Ingredient

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Description

light yellow to ochre crystalline powder

α-Bromocinnamaldehyde Basic Attributes

Molecular Weight：

211.06

Exact Mass：

211.06

EC Number：

226-637-6

HScode：

2913000090

Characteristics

PSA：

17.07000

XLogP3：

2.44

Appearance：

Light yellow to ochre Crystalline Powder

Density：

1.5±0.1 g/cm3

Melting Point：

70.5 °C

Boiling Point：

304.4±30.0 °C at 760 mmHg

Flash Point：

110.2±11.9 °C

Refractive Index：

1.627

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN 3335

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

26-36/37/39-22

RTECS Number：

GD6480000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

α-Bromocinnamaldehyde Use and Manufacturing

Methods of Manufacturing

Stir cinnamaldehyde and glacial acetic acid vigorously, add bromine under cooling to react. Then, anhydrous potassium carbonate was added, the reaction was heated to reflux for half an hour, cooled, and the crude product was precipitated. The crude product is dissolved in ethanol and recrystallized to obtain a finished product with a yield of about 80%.

Uses

α-Bromocinnamaldehyde was used in the synthesis of 3,4-diaryl 1 H -pyrazoles. 1 It was also used in the preparation of spiro imidazolidine-oxazolidine intermediate via guanidinium ylide mediated aziridination. 2

Computed Properties

Molecular Weight:211.05
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:209.96803
Monoisotopic Mass:209.96803
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:157
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzaldehyde

Potassium carbonate

Acetic acid

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Guide of α-Bromocinnamaldehyde

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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α-Bromocinnamaldehyde

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