4-Chloroisobenzofuran-1,3-dione - CAS 117-21-5

Catalog:	BB003906
Product Name:	4-Chloroisobenzofuran-1,3-dione
CAS:	117-21-5
Synonyms:	4-chloroisobenzofuran-1,3-dione; 4-chloro-2-benzofuran-1,3-dione

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-2-benzofuran-1,3-dione
Description:	4-Chloroisobenzofuran-1,3-dione (CAS# 117-21-5) is a useful research chemical.
Molecular Weight:	182.56
Molecular Formula:	C8H3ClO3
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)C(=O)OC2=O
InChI:	InChI=1S/C8H3ClO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H
InChI Key:	UERPUZBSSSAZJE-UHFFFAOYSA-N
Boiling Point:	317.2 °C at 760 mmHg
Density:	1.594 g/cm³
MDL:	MFCD00023107
LogP:	1.65060

Publication Number	Title	Priority Date
CN-113072525-A	Preparation method of 3,4 '- (4, 4' -isopropyldiphenoxy) bis (phthalic anhydride)	20210330
CN-112961132-A	Method for preparing monochlorophthalic anhydride in micro-channel continuous flow reactor	20210224
CN-112961133-A	Production method of 4-chlorophthalic anhydride	20210224
CN-112791023-A	Wet tissue or wet toilet paper special for female daily use and preparation method thereof	20210128
CN-112707879-A	Method for preparing oxo-bis- (N-methylphthalimide)	20201230

PMID	Publication Date	Title	Journal
17165547	20060901	[Simultaneous determination of monochlorophthalic anhydride and monochlorophthalic acid in substrates by high performance liquid chromatography]	Se pu = Chinese journal of chromatography
16315102	20051101	New fluorescent labels: 4- and 7-chlorofluorescein	Journal of fluorescence

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Carbonyl Compounds

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GHS Hazard Statement:	H315 (33.33%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.9770716
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.9770716
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9