4-amino-3,5,6-trichloropyridine-2-carboxylic acid

• ChemBase ID: 85159
• Molecular Formular: C6H3Cl3N2O2
• Molecular Mass: 241.45922
• Monoisotopic Mass: 239.92601039
• SMILES: n1c(c(c(c(c1Cl)Cl)N)Cl)C(=O)O
• Canonical SMILES: OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl
• InChI: InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)
• InChIKey: NQQVFXUMIDALNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-3,5,6-trichloropyridine-2-carboxylic acid
• IUPAC Traditional name: picloram; grazon
• Synonyms: Picloram; Tordon; Grazon; Picloram; Picloram; 4-Amino-3,5,6-trichloropicolinic acid; 4-Amino-3,5,6-trichloropyridine-2-carboxylic acid; 4-Amino-3,5,6-trichloropyridine-2-carboxylic acid; 4-Amino-3,5,6-trichloropyridine-2-carboxylic acid; 4-氨基-3,5,6-三氯吡啶-2-羧酸; 4-氨基-3,5,6-三氯皮考林酸; 毒莠定; 毒莠定; 4-氨基-3,5,6-三氯吡啶-2-羧酸

Database IDs

• CAS Number: 1918-02-1
• EC Number: 217-636-1
• MDL Number: MFCD00012101
• Beilstein Number: 479075
• PubChem SID: 24862832; 24899175; 162072275; 24898671
• PubChem CID: 15965
• CHEMBL: 461349
• Chemspider ID: 15170
• KEGG ID: C14310
• Wikipedia Title: Picloram

CALCULATED PROPERTIES

• Acid pKa: 3.9826
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.46029004
• LogD (pH = 7.4): -1.1755632
• Log P: 2.0023918
• Molar Refractivity: 50.9614 cm^3
• Polarizability: 19.032988 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline solid
• Melting Point: 200 - 202°C; 200 °C (dec.)(lit.); 200°C; 218.5 °C
• Hydrophobicity(logP): 2.425

Safety Information

• Storage Warning: Irritant
• RTECS: TJ7525000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36
• Safety Statements: 26; R
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%
• Grade: analytical standard; PESTANAL®, analytical standard; technical grade
• Packaging: ampule of 250 mg
• Suitability: plant cell culture tested
• Empirical Formula (Hill Notation): C6H3Cl3N2O2

DETAILS

Sigma Aldrich - P5575

Application
Picloram (4-Amino-3,5,6-trichloropyridine-2-carboxylic acid) is a chlorinated systemic herbicide widely used for woody plant and broad-leaved weed control. Picloram induces direct somatic embryogenesis of Lilium longiflorum var. Ceb-dazzel.

Sigma Aldrich - 225622

Packaging
1 g in glass bottle

Sigma Aldrich - 36774

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH