5-Bromoveratraldehyde - CAS 6948-30-7

Name: 5-Bromoveratraldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB033843
Product Name:	5-Bromoveratraldehyde
CAS:	6948-30-7
Synonyms:	3-bromo-4,5-dimethoxybenzaldehyde

Technical Data

IUPAC Name:	3-bromo-4,5-dimethoxybenzaldehyde
Description:	5-Bromoveratraldehyde (CAS# 6948-30-7) is used as a reagent to synthesize aromatic vinyl sulfones, compounds that act as inhibitors of HIV-1. 3-Bromo-4,5-dimethoxybenzaldehyde is used as a reagent to synthesize (-)-Tejedine, a secobisbenzylisoquinoline compound that naturally occurs in Barberry (a medicinal plant).
Molecular Weight:	245.07
Molecular Formula:	C9H9BrO3
Canonical SMILES:	COC1=C(C(=CC(=C1)C=O)Br)OC
InChI:	InChI=1S/C9H9BrO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3
InChI Key:	ICVODPFGWCUVJC-UHFFFAOYSA-N
Boiling Point:	313.8 °C at 760 mmHg
Density:	1.482 g/cm³
MDL:	MFCD00003346
LogP:	2.27880

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.97351
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	243.97351
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2