2,3,5,6-Tetrachloroterephthalic Acid - CAS 2136-79-0

Catalog:	BB016787
Product Name:	2,3,5,6-Tetrachloroterephthalic Acid
CAS:	2136-79-0
Synonyms:	2,3,5,6-tetrachloroterephthalic acid; 2,3,5,6-tetrachloroterephthalic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,3,5,6-tetrachloroterephthalic acid
Description:	2,3,5,6-Tetrachloroterephthalic Acid (CAS# 2136-79-0) is a pest control chemical and plant growth regulator.
Molecular Weight:	303.91
Molecular Formula:	C8H2Cl4O4
Canonical SMILES:	C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O
InChI:	InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
InChI Key:	KZCBXHSWMMIEQU-UHFFFAOYSA-N
Boiling Point:	425.2 °C at 760 mmHg
Melting Point:	343 - 345 °C
Density:	1.872 g/cm³
Appearance:	Solid
LogP:	3.69660

Publication Number	Title	Priority Date
CN-113325112-A	Method for simultaneously and rapidly detecting residual quantity of various pesticides	20210608
JP-6865489-B1	Method for producing dimethyl 2,3,5,6-tetrachloro-1,4-benzenedicarboxylic acid	20201020
WO-2021209268-A1	Beta-lactams and their use as herbicides	20200414
WO-2021204884-A1	3-(4-alkenyl-phenyl)-3-pyrrolin-2-ones and their use as herbicides	20200409
WO-2021204589-A1	Substituted thiazolopyridines, salts thereof and their use as herbicidally active substances	20200407

PMID	Publication Date	Title	Journal
22589763	20120401	catena-Poly[[diaqua-bis(1H-imidazole-κN(3))cobalt(II)]-μ-2,3,5,6-tetra-chloro-tereph-thal-ato-κ(2)O(1):O(4)]	Acta crystallographica. Section E, Structure reports online
21589294	20101120	catena-Poly[[[aqua-tris-(pyridine-κN)nickel(II)]-μ-2,3,5,6-tetra-chloro-benzene-1,4-dicarboxyl-ato-κO:O] pyridine monosolvate]	Acta crystallographica. Section E, Structure reports online
19943644	20091201	Pesticides in dust from homes in an agricultural area	Environmental science & technology
19805887	20091001	Hydrogen-bond-directed supramolecular arrays in 4,4'-bipyridinium tetrachloroterephthalate dihydrate and bis(1,10-phenanthrolinium) tetrachloroterephthalate tetrachloroterephthalic acid trihydrate	Acta crystallographica. Section C, Crystal structure communications
19190378	20090201	Influence of solvent on the structures of two one-dimensional cobalt(II) coordination polymers with tetrachloroterephthalate	Acta crystallographica. Section C, Crystal structure communications

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Related Functional Groups

Carbonyl Compounds

[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[69616-74-6]
2',4-Dihydroxy-3',4',6'-trimethoxychalcone

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	264
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	303.867769
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	301.870719
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7