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2,4,6-Trichlorophenoxyacetic acid

2,4,6-Trichlorophenoxyacetic acid - CAS 575-89-3

Name: 2,4,6-Trichlorophenoxyacetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB046991
Product Name:	2,4,6-Trichlorophenoxyacetic acid
CAS:	575-89-3
Synonyms:	Acetic acid, (2,4,6-trichlorophenoxy)-; NSC 61993; Prochloraz metabolite 3

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-(2,4,6-trichlorophenoxy)acetic acid
Description:	2,4,6-Trichlorophenoxyacetic acid (CAS# 575-89-3 ) is a useful research chemical.
Molecular Weight:	255.48
Molecular Formula:	C8H5Cl3O3
Canonical SMILES:	C1=C(C=C(C(=C1Cl)OCC(=O)O)Cl)Cl
InChI:	InChI=1S/C8H5Cl3O3/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2H,3H2,(H,12,13)
InChI Key:	KZDCLQBOHGBWOI-UHFFFAOYSA-N
Boiling Point:	373.4±37.0 °C at 760 mmHg
Density:	1.6±0.1 g/cm³

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Related Functional Groups

Arenes

[58287-18-6]C8H9NO3
(1R)-1-(4-Nitrophenyl)ethanol
[751-38-2]C34H24
1,2,3,4-Tetraphenylnaphthalene
[2091593-59-6]C9H10F3NO
3-methoxy-6-methyl-2-(trifluoromethyl)aniline
[52159-67-8]C8H7ClO3
Methyl 3-chloro-2-hydroxybenzoate
[81574-05-2]C11H13N3
N-Benzyl-1-methyl-1H-pyrazol-3-amine
[1429417-80-0]C11H12N4O2
N-Benzyl-1-methyl-4-nitro-1H-pyrazol-3-amine

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride

Halides

[859473-05-5]C9H6Cl2N2S
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[134005-20-2]C4H6I2
(Z)-1,3-Diiodo-2-butene
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[4860-03-1]C16H33Cl
1-Chlorohexadecane

GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (97.44%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
Signal Word:	Warning

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.930427
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.930427
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6