2,5-Dimethoxybenzaldehyde - CAS 93-02-7

Catalog:	BB040743
Product Name:	2,5-Dimethoxybenzaldehyde
CAS:	93-02-7
Synonyms:	2,5-dimethoxybenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2,5-dimethoxybenzaldehyde
Description:	2,5-Dimethoxybenzaldehyde (CAS# 93-02-7) is a useful research chemical.
Molecular Weight:	166.17
Molecular Formula:	C9H10O3
Canonical SMILES:	COC1=CC(=C(C=C1)OC)C=O
InChI:	InChI=1S/C9H10O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-6H,1-2H3
InChI Key:	AFUKNJHPZAVHGQ-UHFFFAOYSA-N
Boiling Point:	146 °C10 mmHg (lit.)
Melting Point:	46-48 °C (lit.)
Flash Point:	>230 °F
Purity:	98 %
Density:	1.114 g/cm³
Appearance:	Yellow crystalline solid
MDL:	MFCD00003314
LogP:	1.51630
Vapor Pressure:	0.01 [mmHg]

Publication Number	Title	Priority Date
CN-112321413-A	Preparation method of 2, 5-dimethoxy phenylacetic acid	20201028
CN-111484499-A	Method for preparing drug intermediate chromene pyrimido indazolone derivative through catalysis	20200612
CN-111484499-B	Method for preparing drug intermediate chromene pyrimido indazolone derivative through catalysis	20200612
KR-20210112888-A	Attractants of Yellow Tea Trips	20200306
CN-111233649-A	Naphthoquinone compound for resisting novel coronavirus and medical application thereof	20200302

PMID	Publication Date	Title	Journal
22606166	20120401	4-[(E)-2-(2,4-Dichloro-benzyl-idene)hydrazin-1-yl]quinolin-1-ium chloride monohydrate	Acta crystallographica. Section E, Structure reports online
22606177	20120401	7-Chloro-4-[(E)-2-(2,5-dimeth-oxy-benzyl-idene)hydrazin-1-yl]quinoline	Acta crystallographica. Section E, Structure reports online
21756927	20111101	Synthesis of [¹¹C]PBR06 and [¹⁸F]PBR06 as agents for positron emission tomographic (PET) imaging of the translocator protein (TSPO)	Steroids
21627838	20110531	Antifungal activity of redox-active benzaldehydes that target cellular antioxidation	Annals of clinical microbiology and antimicrobials
21588276	20100707	(E)-1-(2-Bromo-phen-yl)-3-(2,5-dimeth-oxy-phen-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P285, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.062994177
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.062994177
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5