Tetrachlorophthalic anhydride

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CAS Number

117-08-8

Smiles

C12=C (C (=C (C (=C1Cl) Cl) Cl) Cl) C (=O) OC2=O

Molecular Formula

C8Cl4O3

Molecular Weight

285.89 g/mol

Controlled

Yes

Chemical Information

Tetrachlorophthalic anhydride

Tetrachlorophthalic anhydride is a cyclic dicarboxylic anhydride that is phthalic anhydride chlorinated at the 4-, 5-, 6- and 7-positions. It has a role as a cross-linking reagent and an allergen. It is a tetrachlorobenzene and a cyclic dicarboxylic anhydride. It is functionally related to a phthalic anhydride.

CAS Number	117-08-8
PubChem CID	8326
IUPAC Name	4,5,6,7-tetrachloro-2-benzofuran-1,3-dione
Molecular Formula	C8Cl4O3
Molecular Weight	285.9
XLogP	3.8
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	291

SMILES

C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC2=O

InChI

InChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11

InChIKey

AUHHYELHRWCWEZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117-08-8

CID: 8326

Formula: C8Cl4O3

MW: 285.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	285.9
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	285.857205
Monoisotopic Mass	283.860155
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	291
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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BAA76046-01	Diphenylacetic Anhydride
BAA46839-01	Isovaleric Anhydride
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Catalog	Name
sc-272564	Tetrachlorophthalic anhydride
T02770-01	Tetrachlorophthalic anhydride 98%
290577-01	Tetrachlorophthalic
T02760-01	Tetrachlorophthalic Acid
sc-475543	Tetrachlorophthalic Acid Hemihydrate
103360 250	Caproic anhydride (Hexanoic anhydride)
15025222-25g	2,3-Pyridinedicarboxylic anhydride (Quinolinic anhydride)
GTR19202281-01	Nicotinic anhydride
HY-W087187-01	DOTAGA-anhydride
507001	GLUTARIC ANHYDRIDE

Tetrachlorophthalic anhydride

Chemical Information

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