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Sigma-Aldrich

5-Bromo-2-methoxybenzaldehyde

99%

Synonym(s):

5-Bromo-o-anisaldehyde

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About This Item

Linear Formula:
BrC6H3(OCH3)CHO
CAS Number:
25016-01-7
Molecular Weight:
215.04
EC Number:
246-564-3
MDL number:
MFCD00003347
UNSPSC Code:
12352100
PubChem Substance ID:
24849423
NACRES:
NA.22

Assay

99%

form

solid

mp

116-119 °C (lit.)

SMILES string

COc1ccc(Br)cc1C=O

InChI

1S/C8H7BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3

InChI key

IJIBRSFAXRFPPN-UHFFFAOYSA-N

General description

The spectral properties of 5-Bromo-2-methoxybenzaldehyde have been studied.

Application

5-Bromo-2-methoxybenzaldehyde was used in the preparation of trans-5-bromo-2-methoxybenzylidenecyanoacetic acid.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Precautionary Statements

P301 + P312 + P330

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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V Balachandran et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 106, 262-274 (2013-02-19)
The (FT-IR and FT-Raman) spectral properties of 5-bromo-2-methoxybenzaldehyde (BMB) are studied using density functional theory (DFT) employing B3LYP/6-311++G (d) and B3LYP/6-311++G (d,p) levels of theory. There are four conformers, C1, C2, C3, and C4 for this molecule. The computational results
22. Stereochemistry of arylidenecyanoacetic acids and arylarylideneacetonitriles.
Journal of the Chemical Society, 119-124 (1953)

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