AG00DECM

4466-59-5 | 1,​3-​Isobenzofurandione, 4,​7-​dichloro-

AG00DECM

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CAS Number	4466-59-5
Catalog Number	AG00DECM(AGN-PC-0WAJGV)
Chemical Name	1,​3-​Isobenzofurandione, 4,​7-​dichloro-
EC Number	224-733-2
IUPAC Name	4,7-dichloro-2-benzofuran-1,3-dione
InChI	InChI=1S/C8H2Cl2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2H
InChI Key	HEGLMCPFDADCAQ-UHFFFAOYSA-N
MDL Number	MFCD00042786
Molecular Formula	C8H2Cl2O3
Molecular Weight	217.0057
SMILES	O=C1c2c(C(=O)O1)c(Cl)ccc2Cl
Synonyms	3,6-Dichlorophthalic anhydride, 4466-59-5, 4,7-Dichloroisobenzofuran-1,3-dione, 1,3-Isobenzofurandione, 4,7-dichloro-, 3,6-Dichlorophthalicanhydride, 3,6-Dichloro-phthalic anhydride, 4,7-dichloro-2-benzofuran-1,3-dione, FR-2369, 4,7-dichloro-1,3-dihydro-2-benzofuran-1,3-dione, EINECS 224-733-2, PubChem2272, AC1Q3JHI, SCHEMBL542, AC1L2UR1, 3.6-Dichlorphthalsaureanhydrid, AC1Q6H82, CHEMBL2270554, CTK4I8382, DTXSID90196264, HEGLMCPFDADCAQ-UHFFFAOYSA-N, 6166AB, ANW-72436, MFCD00042786, 3,6-Dichlorophthalic anhydride, 98%, AKOS015850104, ZINC100034305, 1,3-Isobenzofurandione,4,7-dichloro-, CS-W006472, FCH1321890, MCULE-8856437122, VZ25885, AK-39479, CC-13732, SC-48901, AX8005544, DB-022125, TR-017147, FT-0635313, ST24042669, 466D595, C-11736, 3,6-Dichloro-1,2-benzenedicarboxylic acid; Anhydride, I14-15398, InChI=1/C8H2Cl2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2, C8H2Cl2O3, C8-H2-Cl2-O3, CID78218, Phthalic anhydride, 3,6-dichloro-, AR-1E9975, 4815-28-5,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.938g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.001g/mol
Monoisotopic Mass	215.938g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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