5,6-Dimethoxyisobenzofuran-1,3-dione - CAS 4821-94-7

Catalog:	BB044612
Product Name:	5,6-Dimethoxyisobenzofuran-1,3-dione
CAS:	4821-94-7
Synonyms:	4,5-dimethoxy-phthalic anhydride; m-Hemipic anhydride; m-Hemipinsaureanhydride; 1,3-Isobenzofurandione, 5,6-dimethoxy-

IUPAC Name:	5,6-dimethoxy-2-benzofuran-1,3-dione
Description:	5,6-Dimethoxyisobenzofuran-1,3-dione (CAS# 4821-94-7 ) is a useful research chemical.
Molecular Weight:	208.17
Molecular Formula:	C10H8O5
Canonical SMILES:	COC1=C(C=C2C(=C1)C(=O)OC2=O)OC
InChI:	InChI=1S/C10H8O5/c1-13-7-3-5-6(4-8(7)14-2)10(12)15-9(5)11/h3-4H,1-2H3
InChI Key:	IMSDRBDUANUSRL-UHFFFAOYSA-N
Boiling Point:	382.3±32.0 °C (Predicted)
Melting Point:	175 °C
Purity:	≥ 95 %
Density:	1.382±0.06 g/cm³ (Predicted)

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Related Functional Groups

Benzofuran/Benzothiophene

[335671-77-7]
7-Bromo-2,3-dihydrobenzofuran-5-carboxylic acid
[76981-71-0]
Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
[438228-39-8]
Ethyl 2-amino-6-tert-butyl-1-benzothiophene-3-carboxylate
[96334-44-0]
Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
[28418-88-4]
3-Iodophthalic anhydride
[174186-43-7]
6,7,8,9-Tetrahydrodibenzo[b,d]furan-4-carboxylic acid

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	260
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.03717335
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.03717335
Rotatable Bond Count:	2
Topological Polar Surface Area:	61.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2

5,6-Dimethoxyisobenzofuran-1,3-dione - CAS 4821-94-7

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