CAS 2808-86-8 2,3,4,5-Tetrachloropyridine (HCID 76051)

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Basic information

CAS: 2808-86-8
Standard SMILES: Clc1cnc(Cl)c(Cl)c1Cl
InChIKey: DLOOKZXVYJHDIY-UHFFFAOYSA-N
Molecular formula: C5HCl4N
Average molar mass: 216.9 g/mol
Monoisotopic mass: 214.88630975

Names & identifiers

Preferred name: 2,3,4,5-Tetrachloropyridine
IUPAC: 2,3,4,5-tetrachloropyridine
English name: 2,3,4,5-tetrachloropyridine
Molecular formula: C5HCl4N
Molecular weight: 216.88

Names & synonyms

2,3,4,5-TetrachloropyridinePyridine, 2,3,4,5-tetrachloro-BRN 0135628EINECS 220-550-7UNII-SIP6Y7N344SIP6Y7N344DTXSID40413155-20-05-00420 (Beilstein Handbook Reference)RefChem:81246DTXCID2021315220-550-72808-86-8

Show more names

2,3,4,5-tetrachloropyridine ISO 9001：2015 REACH

Pyridine, tetrachloro-33752-16-8MFCD00955609SCHEMBL3525305SCHEMBL66514702,3,4,5-Tetrachloro-pyridineSCHEMBL29462909AKOS016009683

Database identifiers

CAS: 2808-86-8、33752-16-8
PubChem CID: 76051
DTXSID: DTXSID4041315
UNII: SIP6Y7N344
EC Number: 220-550-7、251-666-6
Nikkaji: J51.343A

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 120

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 21 °C · 21°C
Boiling point: 351.22 °C · 351.22°C (rough estimate)
Density: 2.0309 · 2.0309 (rough estimate)
refractive index: 1.6 · 1.6000 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -3.65 · -3.65±0.10(Predicted)
Appearance: White to off-white Solid
FDA UNII: 6 Y7N344 · SIP6Y7N344
EPA Substance Registry System: 2 · 2,3,4,5-Tetrachloropyridine (2808-86-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319

Safety & regulation

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319
Precautionary statements: P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P501