2,3,5-trichloropyridine

• ChemBase ID: 69531
• Molecular Formular: C5H2Cl3N
• Molecular Mass: 182.43508
• Monoisotopic Mass: 180.92528211
• SMILES: c1(c(cc(cn1)Cl)Cl)Cl
• Canonical SMILES: Clc1cnc(c(c1)Cl)Cl
• InChI: InChI=1S/C5H2Cl3N/c6-3-1-4(7)5(8)9-2-3/h1-2H
• InChIKey: CNLIIAKAAMFCJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-trichloropyridine
• IUPAC Traditional name: 2,3,5-trichloropyridine
• Synonyms: 2,3,5-Trichloropyridine; 2,3,5-Trichloropyridine 97%; 2,3,5-Trichloropyridine; 2,3,5-三氯吡啶

Database IDs

• CAS Number: 16063-70-0
• EC Number: 407-270-2
• MDL Number: MFCD00043007
• Beilstein Number: 119384
• PubChem SID: 24863657; 162035257
• PubChem CID: 27666

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7878845
• LogD (pH = 7.4): 2.7878847
• Log P: 2.7878847
• Molar Refractivity: 39.3768 cm^3
• Polarizability: 15.306779 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Light yellow crystal
• Melting Point: 46-50 °C; 46-50 °C(lit.); 46-50°C
• Boiling Point: 219 °C(lit.); 219°C
• Flash Point: >110°C; 113 °C; 235.4 °F

Safety Information

• Storage Warning: IRRITANT; Toxic
• RTECS: UU0525000
• UN Number: 2811
• German water hazard class: 2
• Hazard Class: 6.1; 8
• Packing Group: 3
• Risk Statements: 52/53
• Safety Statements: 61
• TSCA Listed: false
• GHS Hazard statements: H412
• GHS Precautionary statements: P273
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥97.0% (HPLC); 95+%; 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C5H2Cl3N

DETAILS

Sigma Aldrich - 384275

Packaging
50 g in glass bottle