6,7-Dimethoxy-3H-1-isobenzofuranone - CAS 569-31-3

Catalog:	BB029532
Product Name:	6,7-Dimethoxy-3H-1-isobenzofuranone
CAS:	569-31-3
Synonyms:	6,7-dimethoxy-3H-isobenzofuran-1-one; 6,7-dimethoxy-3H-2-benzofuran-1-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	6,7-dimethoxy-3H-2-benzofuran-1-one
Description:	6,7-Dimethoxy-3H-1-isobenzofuranone (CAS# 569-31-3 ) is a useful research chemical.
Molecular Weight:	194.18
Molecular Formula:	C10H10O4
Canonical SMILES:	COC1=C(C2=C(COC2=O)C=C1)OC
InChI:	InChI=1S/C10H10O4/c1-12-7-4-3-6-5-14-10(11)8(6)9(7)13-2/h3-4H,5H2,1-2H3
InChI Key:	ORFFGRQMMWVHIB-UHFFFAOYSA-N
Boiling Point:	404.2 °C at 760 mmHg
Melting Point:	102.5 °C
Density:	1.26 g/cm³
Solubility:	2.5 mg/mL at 25 °C
Appearance:	Solid
LogP:	1.37420

Publication Number	Title	Priority Date
CN-112110932-A	Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy	20190621
CN-110146462-A	The analysis method of heroin identical source	20190610
KR-102025611-B1	A composition comprising a culture of Ceriporia lamaritus for preventing or treating of atopic dermatitis	20190515
KR-102052509-B1	Composition comprising a culture of Ceriporia lamaritus for preventing of hair loss	20190515
KR-20200133063-A	A cosmetic composition comprising a culture of Ceriporia lamaritus for skin improvement	20190515

PMID	Publication Date	Title	Journal
20355211	20090701	Validated stability-indicating TLC method for the determination of noscapine	Drug testing and analysis
17913687	20070901	Fatal poisoning by alcohol and heroin	Arhiv za higijenu rada i toksikologiju
17536746	20070301	Validation of meconin as a marker for illicit opiate use	Journal of analytical toxicology
16803666	20060501	Comparison of the various opiate alkaloid contaminants and their metabolites found in illicit heroin with 6-monoacetyl morphine as indicators of heroin ingestion	Journal of analytical toxicology
16367984	20051201	Validation of techniques to detect illicit heroin use in patients prescribed pharmaceutical heroin for the management of opioid dependence	Addiction (Abingdon, England)

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Related Functional Groups

Benzofuran/Benzothiophene

[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
[926257-36-5]
4-Bromo-3-chloro-1-benzothiophene-2-carboxylic acid
[174186-43-7]
6,7,8,9-Tetrahydrodibenzo[b,d]furan-4-carboxylic acid
[148961-81-3]
2-Tributylstannylbenzo[b]furan
[861233-46-7]
3-Chloro-4-difluoromethoxy-benzo[b]thiophene-2-carbonyl chloride
[6518-91-8]
4-(Chloromethyl)-6,7-dimethoxy-3H-1-isobenzofuranone

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

Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.05790880
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.05790880
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3