2,3,6-Trichloropyridine

HCID 23016

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6515-09-9
Standard SMILES: Clc1ccc(Cl)c(Cl)n1
InChIKey: GPAKJVMKNDXBHH-UHFFFAOYSA-N
Molecular formula: C5H2Cl3N
Average molar mass: 182.43 g/mol
Monoisotopic mass: 180.9252821

Names & identifiers

Preferred name: 2,3,6-Trichloropyridine
IUPAC: 2,3,6-trichloropyridine
English name: 2,3,6-Trichloropyridine
Molecular formula: C5H2Cl3N
Molecular weight: 182.44

Names & synonyms

2,3,6-TRICHLOROPYRIDINE6515-09-9Pyridine, 2,3,6-trichloro-2,5,6-TrichloropyridineMFCD00463516BRN 0118592SCHEMBL3363278AC-960AKOS005258298CS-W021481GS-6541T3428

Show more names

2,3,6-TrichLPyridine,2,3,6-trichloro2,3,6-TRICHLOROPYRIDINE ISO 9001：2015 REACH

2,6-Dichloro-3-chloropyridineFT-0600050SCHEMBL3395962SCHEMBL6589978DTXSID0073374SCHEMBL29391823SB52369SY023494

Database identifiers

CAS: 6515-09-9
PubChem CID: 23016
DTXSID: DTXSID0073374
EC Number: 835-803-2
Nikkaji: J51.347D

Properties

Computed structural properties

XLogP: 2.8
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: 98.2

Experimental & physicochemical properties

LogP2.77

Physicochemical properties

Melting point: 66 · 66-67 °C
Boiling point: 300.44 °C · 300.44°C (rough estimate)
Density: 1.8041 · 1.8041 (rough estimate)
refractive index: 1.63 · 1.6300 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: -3.79 · -3.79±0.10(Predicted)
color: Light yellow to Brown
InChI: InChI=1S/C5H2Cl3N/c6-3-1-2-4(7)9-5(3)8/h1-2H
InChIKey: GPAKJVMKNDXBHH-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC=C1Cl
EPA Substance Registry System: 2 · 2,3,6-Trichloropyridine (6515-09-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 2933399990 · 2933399990
Toxicity: 50 ipr-mus: · LD50 ipr-mus: 150 mg/kg TXAPA9 11,361,67

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety data

hs_code: 2933399990
Toxicity: LD50 ipr-mus: 150 mg/kg TXAPA9 11,361,67
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

Uses2,3,6-Trichloropyridine can be used as a catalyst for various compounds, such as, 2,3-dichloropyridine. This compound can also be used as an intermediate in chemosynthesis.