Tetrabromophthalic Acid

CAT: 0024-sc-475315Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-475315Size:250 mg

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CAS Number

13810-83-8

Chemical Information

Tetrabromophthalic acid

hydrolysis product of flame retardant tetrabromophthalic anhydride; RN given refers to parent cpd

CAS Number	13810-83-8
PubChem CID	83638
IUPAC Name	3,4,5,6-tetrabromophthalic acid
Molecular Formula	C8H2Br4O4
Molecular Weight	481.71
XLogP	3.7
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	280

SMILES

C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O)C(=O)O

InChI

InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)

InChIKey

XIRDTMSOGDWMOX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13810-83-8

CID: 83638

Formula: C8H2Br4O4

MW: 481.71

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	481.71
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	481.66456
Monoisotopic Mass	477.66866
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	280
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

Catalog	Name
sc-272560	Tetrabromophthalic anhydride
sc-207666	Ethylenediaminediacetic Acid Dipropionic Acid
sc-278835	Chenodeoxycholic acid, free acid
sc-278835A	Chenodeoxycholic acid, free acid
sc-258296	Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid
sc-489909	Fluvoxamine Acid Trifluoroacetic Acid Salt
sc-202686	L-Ascorbic acid, free acid
sc-208143	P-Aminobenzoic acid, Free Acid
sc-208143B	P-Aminobenzoic acid, Free Acid
sc-208143A	P-Aminobenzoic acid, Free Acid

Catalog	Name
166744	Tetrabromophthalic Acid
T02070	Tetrabromophthalic acid 98%
467281	Tetrabromophthalic Acid-13C6
OR1962	Tetrabromophthalic acid disodium salt
HY-W770294	3,4,5,6-Tetrabromophthalic acid-13C6
T02080-01	Tetrabromophthalic Anhydride
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)