CAS 33216-52-3 3,4,5-Trichloropyridine (HCID 3786531)

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Basic information

CAS: 33216-52-3
Standard SMILES: Clc1cncc(Cl)c1Cl
InChIKey: KKWRVUBDCJQHBZ-UHFFFAOYSA-N
Molecular formula: C5H2Cl3N
Average molar mass: 182.43 g/mol
Monoisotopic mass: 180.9252821

Names & identifiers

Preferred name: 3,4,5-Trichloropyridine
IUPAC: 3,4,5-trichloropyridine
English name: 3,4,5-Trichloropyridine
Molecular formula: C5H2Cl3N
Molecular weight: 182.44

Names & synonyms

3,4,5-Trichloropyridine33216-52-3DTXSID90396388RefChem:90913DTXCID20347247624-194-7KKWRVUBDCJQHBZ-UHFFFAOYSA-NMFCD00051685Pyridine, 3,4,5-trichloro-3,4,5-Trichloro-pyridineSCHEMBL337576orb2940296

Show more names

3,4,5- threechlorine pyridine3,4,5-Trichloropyridine ISO 9001：2015 REACH

SCHEMBL21598103,4,5-Trichloropyridine, 98%STR06330RB1097TYD-00282AKOS005255561CS-W017087FG-0506

Database identifiers

CAS: 33216-52-3
PubChem CID: 3786531
DTXSID: DTXSID90396388
EC Number: 624-194-7
Nikkaji: J2.696.166A

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 88.2

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 75 · 75-77 °C (dec.) (lit.)
Boiling point: 213 · 213-215°C
Density: 1.539 · 1.539±0.06 g/cm3(Predicted)
Flash point: 213 · 213-215°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: -0.08 · -0.08±0.10(Predicted)
color: White to Almost white
BRN: 120542 · 120542
CAS DataBase Reference: 33216 · 33216-52-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 29333990
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-36
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses3,4,5-Trichloropyridine may be employed as a secondary standard in quantitative NMR (qNMR) studies.

General Description3,4,5-Trichloropyridine is a pyridine derivative. It undergoes oxidation with trifluoroacetic anhydride (TFAA) in the presence of hydrogen peroxide urea complex.