2,3-(Methylenedioxy)benzaldehyde - CAS 7797-83-3

Catalog:	BB036091
Product Name:	2,3-(Methylenedioxy)benzaldehyde
CAS:	7797-83-3
Synonyms:	1,3-benzodioxole-4-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	1,3-benzodioxole-4-carbaldehyde
Description:	2,3-(Methylenedioxy)benzaldehyde (CAS# 7797-83-3) is a useful research chemical.
Molecular Weight:	150.13
Molecular Formula:	C8H6O3
Canonical SMILES:	C1OC2=CC=CC(=C2O1)C=O
InChI:	InChI=1S/C8H6O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-4H,5H2
InChI Key:	QZMQKPGVXNSITP-UHFFFAOYSA-N
Boiling Point:	80 °C0.3 mmHg (lit.)
Melting Point:	34-36 °C (lit.)
Purity:	95 %
Density:	1.312 g/mL at 25°C(lit.)
MDL:	MFCD00016902
LogP:	1.22780

Publication Number	Title	Priority Date
CN-214320140-U	Preparation facilities of heliotropin	20201231
WO-2021122608-A1	Low-molecular gelling agent as fragrant substance dispensing system	20191220
WO-2021115600-A1	Washing and cleaning agents comprising environmentally compatible microcapsules	20191212
WO-2021116365-A1	Washing and cleaning agents comprising environmentally compatible microcapsules	20191212
WO-2021118826-A1	Deuterium-enriched substituted phenoxyphenyl acetic acids and acylsulfonamides	20191212

PMID	Publication Date	Title	Journal
22058936	20110901	(E)-3-(2H-1,3-Benzodioxol-5-yl)-1-(7-hy-droxy-5-meth-oxy-2,2-dimethyl-chroman-8-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
20936178	20100913	Parameters of Reserpine Analogs That Induce MSH2/MSH6-Dependent Cytotoxic Response	Journal of nucleic acids
20384519	20100901	In vitro biological studies and structural elucidation of fluoro-substituted phenyl acrylic acids	Drug development and industrial pharmacy

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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

Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.031694049
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	150.031694049
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2