4-Benzofurazancarboxaldehyde - CAS 32863-32-4

Catalog:	BB021445
Product Name:	4-Benzofurazancarboxaldehyde
CAS:	32863-32-4
Synonyms:	2,1,3-benzoxadiazole-4-carboxaldehyde; 2,1,3-benzoxadiazole-4-carbaldehyde

Technical Data

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Patents

Computed Properties

IUPAC Name:	2,1,3-benzoxadiazole-4-carbaldehyde
Description:	A synthetic intermediate for the production of Isradipine.
Molecular Weight:	148.12
Molecular Formula:	C7H4N2O2
Canonical SMILES:	C1=CC2=NON=C2C(=C1)C=O
InChI:	InChI=1S/C7H4N2O2/c10-4-5-2-1-3-6-7(5)9-11-8-6/h1-4H
InChI Key:	YBBRQAXNTWMMFZ-UHFFFAOYSA-N
Boiling Point:	277 °C
Density:	1.417 g/cm³
LogP:	1.03530

Publication Number	Title	Priority Date
WO-2021005586-A1	Tricyclic akr1c3 dependent kars inhibitors	20190801
CN-103319432-A	Method for synthesizing isradipine medicament midbody 4-formyl benzo furazan	20130628
CN-103319432-B	Method for synthesizing isradipine medicament midbody 4-formyl benzo furazan	20130628
CN-103992310-A	Group of substituted benzoheterocycle amine derivatives and preparation method and related application thereof as IMPDH (inosine monophosphate dehydrogenase) inhibitor	20130514
US-2015031686-A1	Phenyl-oxazolyl derivatives, preparation method thereof, and related application of the phenyl-oxazolyl derivatives as an impdh inhibitor	20120308

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.027277375
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	148.027277375
Rotatable Bond Count:	1
Topological Polar Surface Area:	56 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6