2,4,6-trichloropyridine

• ChemBase ID: 70295
• Molecular Formular: C5H2Cl3N
• Molecular Mass: 182.43508
• Monoisotopic Mass: 180.92528211
• SMILES: c1(cc(cc(n1)Cl)Cl)Cl
• Canonical SMILES: Clc1cc(Cl)nc(c1)Cl
• InChI: InChI=1S/C5H2Cl3N/c6-3-1-4(7)9-5(8)2-3/h1-2H
• InChIKey: FJNNGKMAGDPVIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-trichloropyridine
• IUPAC Traditional name: 2,4,6-trichloropyridine
• Synonyms: 2,4,6-Trichloropyridine; 2,4,6-Trichloropyridine; 2,4,6-三氯吡啶

Database IDs

• CAS Number: 16063-69-7
• MDL Number: MFCD00971928
• PubChem SID: 162036018; 24882560
• PubChem CID: 27665

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.008062
• LogD (pH = 7.4): 3.008062
• Log P: 3.008062
• Molar Refractivity: 40.4381 cm^3
• Polarizability: 15.321903 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 33-37 °C(lit.); 33-37°C; 33-37°C°C
• Flash Point: >110 °C; >110°C°C; >110°C(230°F); >230 °F

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• RTECS: UU0875000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-41-43
• Safety Statements: 24-26-37/39-60; 26-36/37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H317-H318; H302-H317-H318
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C5H2Cl3N

DETAILS

Sigma Aldrich - 633534

Packaging
1, 5 g in glass bottle