2,3,5,6-tetrachloropyridine

• ChemBase ID: 78565
• Molecular Formular: C5HCl4N
• Molecular Mass: 216.88014
• Monoisotopic Mass: 214.88630976
• SMILES: n1c(c(cc(c1Cl)Cl)Cl)Cl
• Canonical SMILES: Clc1nc(Cl)c(cc1Cl)Cl
• InChI: InChI=1S/C5HCl4N/c6-2-1-3(7)5(9)10-4(2)8/h1H
• InChIKey: FATBKZJZAHWCSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5,6-tetrachloropyridine
• IUPAC Traditional name: 2,3,5,6-tetrachlorpyridine
• Synonyms: 2,3,5,6-Tetrachloropyridine; 2,3,5,6-Tetrachloropyridine; 2,3,5,6-Tetrachloropyridine 98+%; 2,3,5,6-四氯吡啶

Database IDs

• CAS Number: 2402-79-1
• EC Number: 219-283-9
• MDL Number: MFCD00092428
• Beilstein Number: 129639
• PubChem SID: 162043328
• PubChem CID: 16990

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6121066
• LogD (pH = 7.4): 3.6121066
• Log P: 3.6121066
• Molar Refractivity: 45.2429 cm^3
• Polarizability: 17.369175 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88-93°C; 89-93°C
• Boiling Point: 250-252°C; 250-252°C
• Flash Point: 188°C; 188°C(370°F)

Safety Information

• Storage Warning: Toxic/Harmful/Irritant/Store under Argon
• RTECS: UT8225000
• European Hazard Symbols: Nature polluting (N); X
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 22-36/37/38-51/53
• Safety Statements: 26-36/37-57
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS09
• GHS Hazard statements: H301-H315-H319-H335-H411-H401
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98%