5-Bromo-2,4-dimethoxybenzaldehyde - CAS 130333-46-9

Name: 5-Bromo-2,4-dimethoxybenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007086
Product Name:	5-Bromo-2,4-dimethoxybenzaldehyde
CAS:	130333-46-9
Synonyms:	5-bromo-2,4-dimethoxybenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2,4-dimethoxybenzaldehyde
Description:	5-Bromo-2,4-dimethoxybenzaldehyde (CAS# 130333-46-9) is a useful research chemical.
Molecular Weight:	245.07
Molecular Formula:	C9H9BrO3
Canonical SMILES:	COC1=CC(=C(C=C1C=O)Br)OC
InChI:	InChI=1S/C9H9BrO3/c1-12-8-4-9(13-2)7(10)3-6(8)5-11/h3-5H,1-2H3
InChI Key:	PXDIELLGFUEAIX-UHFFFAOYSA-N
Boiling Point:	344.3 °C at 760 mmHg
Melting Point:	140-141 °C (lit.)
Purity:	95 %
Density:	1.482 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00010863
LogP:	2.27880

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

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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

Publication Number	Title	Priority Date
WO-2019242687-A1	1,3-dioxane-4,6-dione compound, and preparation method, pharmaceutical composition, and application thereof	20180621
WO-2019063748-A1	INHIBITORS OF ROR-GAMMA	20170930
US-2019367469-A1	Benzocyclobutane derivatives useful as dual sglt1 / sglt2 modulators	20161110
WO-2018089449-A1	Benzocyclobutane derivatives useful as dual sglt1/sglt2 modulators	20161110
US-10815210-B2	Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators	20161110

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