CAS 69045-83-6 2,3-Dichloro-5-(trichloromethyl)pyridine (HCID 94647)

Names & identifiers

Preferred name: 2,3-Dichloro-5-(trichloromethyl)pyridine
IUPAC: 2,3-dichloro-5-(trichloromethyl)pyridine
English name: 2,3-Dichloro-5-(trichloromethyl)pyridine
Molecular formula: C6H2Cl5N
Molecular weight: 265.35

Names & synonyms

2,3-Dichloro-5-(trichloromethyl)pyridine69045-83-6H56Z8J98WVPyridine, 2,3-dichloro-5-(trichloromethyl)-2,3-dichloro-5-trichloromethylpyridineDTXSID70295342,3-Dichloro-5-trichloromethyl-pyridineUNII-H56Z8J98WVDTXCID409534RefChem:81594614-912-7MFCD03701543

Show more names

Pyridine,2,3-dichloro-5-(trichloromethyl)-69045-83-6 2,3-Dichloro-5-(trichloromethyl)pyridine2,3-Dichloro-5-(trichloromethyl)pyridine ISO 9001：2015 REACH

2 3-DICHLORO-5-(TRICHLOROMETHYL)PYRIDIN&SCHEMBL1747710CHEMBL3184088SCHEMBL29504068Tox21_301744AKOS005258558SB383402,3-dichloro-5-trichloromethyl pyridine

Database identifiers

CAS: 69045-83-6
PubChem CID: 94647
DTXSID: DTXSID7029534
ChEMBL: CHEMBL3184088
UNII: H56Z8J98WV
EC Number: 614-912-7
Nikkaji: J1.581.752F

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 157

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Boiling point: 278 · 278-279 °C(lit.)
Density: 1.636 g/mL · 1.636 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5900(lit.)
Flash point: 150 °F · 150 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -3.03 · -3.03±0.10(Predicted)
Henry's Law Constant: 8.4 · 8.4×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C6H2Cl5N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChIKey: XVBWGQSXLITICX-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(C(Cl)(Cl)Cl)C=C1Cl
FDA UNII: 56 Z8J98WV · H56Z8J98WV
EPA Substance Registry System: 2 · 2,3-Dichloro-5-(trichloromethyl)pyridine (69045-83-6)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 2933399990 · 2933399990

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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Pyridine, 2,3-dichloro-5-(trichloromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 2,3-dichloro-5-(trichloromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
tsca: TSCA listed
hs_code: 2933399990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H315-H319-H335
Precautionary statements: P261-P271-P280

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 250,000 - <550,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 items

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Pyridine, 2,3-dichloro-5-(trichloromethyl)-: ACTIVE

Applications

Uses2,3-dichloro-5-(trifluoromethyl)pyridine (DCTF) is an important organic intermediate for the agrochemical industry in particular for use in the synthesis of fluazinam and fluopicolide as well as other pesticidal active pyridine compounds.