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C₇H₄Cl₃NO₃CAS 55335-06-3256.46 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₇H₄Cl₃NO₃
Molar mass: 256.46 g/mol
Exact mass: 254.9257 Da
Density: 1.85 g/mL
Melting point: 150.5 °C
pKa: 2.68
Water solubility: 440 mg/L (25 °C)
logP: 2.51Crippen estimate
Polar surface area: 59.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction58.7% of notifiers
H319 Causes serious eye irritation59.6% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure53.8% of notifiers
H400 Very toxic to aquatic life53.8% of notifiers
H410 Very toxic to aquatic life with long lasting effects53.8% of notifiers

Aggregated from 104 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P319, P321, P330, P333+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

55335-06-3

SMILES

O=C(O)COc1nc(Cl)c(Cl)cc1Cl

InChIKey

REEQLXCGVXDJSQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

20 names · show all

Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-
Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-
Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-
2-[(3,5,6-Trichloro-2-pyridinyl)oxy]acetic acid
3,5,6-Trichloro-2-pyridyloxyacetic acid
Dowco 233
3,5,6-Trichloro-2-pyridinyloxyacetic acid
Garlon
Garlon 250
Garlon 2
Redeem
Release
3,5,6-TPA
NSC 190671
Remedy
Maxim (auxin)
Maxim
2-[(3,5,6-Trichloropyridinyl)oxy]acetic acid
3,5,6-Trichloro-2-pyridinyloxyethanoic acid
Grandstsnd

Work with Triclopyr

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,5-Trichlorophenoxyacetic acid93-76-556 % similar o-Chlorophenoxyacetic acid614-61-951 % similar 2,3-Dichlorophenoxyacetic acid2976-74-149 % similar 2,4-Dichlorophenoxyacetic acid94-75-748 % similar 3-Chlorophenoxyacetic acid588-32-947 % similar 4-Chlorophenoxyacetic acid122-88-343 % similar Fluroxypyr69377-81-743 % similar Phenoxyacetic acid122-59-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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