α-Bromocinnamaldehyde

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Names

[ CAS No. ]:
5443-49-2

[ Name ]:
α-Bromocinnamaldehyde

[Synonym ]:
A-BROMOCINNAMIC ACID
b36
b37
2-bromo-3-phenylpropenal
α-Bromocinnamic aldehyde
(2Z)-2-bromo-3-phenylprop-2-enal
2-Propenal, 2-bromo-3-phenyl-, (Z)-
EINECS 226-637-6
Cinnamaldehyde, α-bromo-
BROMOCINNAMAL
2-Propenal, 2-bromo-3-phenyl-, (2Z)-
Alphabrocine
a-Bromocinnamaldehyde
2-bromo-3-phenylacrylaldehyde
MFCD00006965
2-bromo-3-phenylacrolein
(2Z)-2-Bromo-3-phenylacrylaldehyde
α-Bromocinnamaldehyde

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
304.4±30.0 °C at 760 mmHg

[ Melting Point ]:
66-68 °C(lit.)

[ Molecular Formula ]:
C9H7BrO

[ Molecular Weight ]:
211.055

[ Flash Point ]:
110.2±11.9 °C

[ Exact Mass ]:
209.968018

[ PSA ]:
17.07000

[ LogP ]:
2.44

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.627

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GD6480000
CHEMICAL NAME :
Cinnamaldehyde, alpha-bromo-
CAS REGISTRY NUMBER :
5443-49-2
BEILSTEIN REFERENCE NO. :
1099733
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H7-Br-O
MOLECULAR WEIGHT :
211.07
WISWESSER LINE NOTATION :
VHYEU1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
470 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - ataxia Gastrointestinal - hypermotility, diarrhea

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
5 nmol/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 110,1,1983

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36/37/39-S22

[ RIDADR ]:
UN 3335

[ WGK Germany ]:
3

[ RTECS ]:
GD6480000

[ HS Code ]:
2913000090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Cinnamaldehyde
  • 2,3-dibromo-3-phenylpropanal
  • Cinnamic aldehyde
  • Benzaldehyde
  • Potassium acetate
  • acetic acid

DownStream

  • 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
  • Methyl cinnamate
  • 1,4-diethyl-3-phenyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
  • Cinnamaldehyde
  • 3,4,5,6-tetraethylbiphenyl-2-carbaldehyde
  • 3,4,5,6-tetrapropylbiphenyl-2-carbaldehyde
  • Allyl cinnamate
  • 2-Propenoic acid,3-phenyl-, cyclohexyl ester
  • Benzyl cinnamate
  • Benzene,(3,3-diethoxy-1-propyn-1-yl)-

Customs

[ HS Code ]: 2913000090

[ Summary ]:
HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

Articles

Masuda borylation-Suzuki coupling (MBSC) sequence of vinylhalides and its application in a one-pot synthesis of 3,4-biarylpyrazoles.

Org. Biomol. Chem. 11(36) , 6113-8, (2013)

The Masuda borylation-Suzuki coupling (MBSC) sequence was successfully extended to the challenging coupling of vinylhalides with various (hetero)arylhalides using sterically hindered phosphane ligands...

[Alpha-bromocinnamaldehyde, its mutagenicity and contents in commercial products].

Eisei Shikenjo Hokoku. (107) , 21-5, (1989)

The amount of alpha-bromocinnamaldehyde (BCA), an anti-mildew agent, in some commercial products, was examined by high performance liquid chromatography (HPLC) using the following conditions: column, ...

Guanidinium ylide mediated aziridination: identification of a spiro imidazolidine-oxazolidine intermediate.

J. Org. Chem. 71(17) , 6600-3, (2006)

We successfully isolated a spiro imidazolidine-oxazolidine intermediate in the reaction of guanidinium ylide mediated aziridination using alpha-bromocinnamaldehyde. X-ray crystallographic analysis una...


More Articles

Related Compounds

  • α-bromocinnamaldehyde
  • α-(3,4-Dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]tetrahydro-3-hydroxyfuran-3-methanol
  • α-((N-(2-aminobenzyl)-N-methylamino)methyl)-3,4-dimethoxybenzyl alcohol
  • α-(((2-nitrobenzylidene)amino)methyl)-3,4-dimethoxybenzyl alcohol
  • α,3-Bis(acetyloxy)-5-methoxybenzeneacetic acid methyl ester
  • α-(1-Hydroxyethyl)benzenessigsaeure-methylester