2-(2,4,5-trichlorophenoxy)propanoic acid

• ChemBase ID: 102803
• Molecular Formular: C9H7Cl3O3
• Molecular Mass: 269.50908
• Monoisotopic Mass: 267.94607712
• SMILES: CC(Oc1c(Cl)cc(Cl)c(Cl)c1)C(=O)O
• Canonical SMILES: CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl
• InChI: InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)
• InChIKey: ZLSWBLPERHFHIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4,5-trichlorophenoxy)propanoic acid
• IUPAC Traditional name: double strength
• Synonyms: 2-(2,4,5-Trichlorophenoxy)propionic acid; α-(2,4,5-TRICHLOROPHENOXY) PROPIONIC ACID; α-(2,4,5-TRICHLOROPHENOXY)PROPIONIC ACID; Silvex; Fenoprop; 2-(2,4,5-Trichlorophenoxy)propionic acid; 2,4,5-TP; Silvex®; Fenoprop; Silvex®; 2,4,5-涕丙酸; 2-(2,4,5-三氯苯氧基)丙酸; 2-(2,4,5-三氯苯氧基)丙酸

Database IDs

• CAS Number: 93-72-1
• EC Number: 202-271-2
• MDL Number: MFCD00002646
• Beilstein Number: 1985768
• PubChem SID: 162089797; 24872640; 24899233; 24889474; 24869259
• PubChem CID: 7158
• CHEMBL: 460296
• Chemspider ID: 6891
• KEGG ID: C14532
• Wikipedia Title: Fenoprop

CALCULATED PROPERTIES

• Acid pKa: 2.6955798
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.94429725
• LogD (pH = 7.4): 0.17307991
• Log P: 3.6744561
• Molar Refractivity: 57.5141 cm^3
• Polarizability: 22.941181 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White powder
• Melting Point: 175-180 °C; 176-180°C; 181.6 °C; 181.6 deg. C
• Density: 1.2085 g/cm^3 at 20 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: UF8225000
• European Hazard Symbols: Nature polluting (N); X; Harmful (Xn)
• UN Number: 3077; UN3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 22-38-50/53; R:22-38-50/53
• Safety Statements: 37-60-61; S:37-60-61
• Emergency Response Guidebook(ERG) Number: 171
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H410; H400-H410-H302-H315
• GHS Precautionary statements: P273-P501; P280-P302+P352-P321-P362-P301+P312-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥97.0% (T); 96%; 97%
• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 1000 mg; ampule of 250 mg
• Empirical Formula (Hill Notation): C9H7Cl3O3

DETAILS

MP Biomedicals - 05219240

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02103108

Crystalline
Purity: 97%

Sigma Aldrich - 161861

Legal Information
Silvex is a registered trademark of Silberline Manufacturing Co., Inc.

Sigma Aldrich - 45691

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Silvex is a registered trademark of Silberline Manufacturing Co., Inc.

Sigma Aldrich - 91350

Legal Information
Silvex is a registered trademark of Silberline Manufacturing Co., Inc.

Sigma Aldrich - PS47

Legal Information
Silvex is a registered trademark of Silberline Manufacturing Co., Inc.

Sigma Aldrich - 49117

Legal Information
Silvex is a registered trademark of Silberline Manufacturing Co., Inc.