CAS 1737-93-5 3,5-Dichloro-2,4,6-trifluoropyridine (HCID 61273)

Overview

3,5-dichloro-2,4,6-trifluoropyridine appears as a colorless liquid. Insoluble in water and denser than water. Hence sinks in water. Contact may irritate skin, eyes, and mucous membranes. Very toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

Names & identifiers

Preferred name: 3,5-Dichloro-2,4,6-trifluoropyridine
IUPAC: 3,5-dichloro-2,4,6-trifluoropyridine
English name: 3,5-Dichloro-2,4,6-trifluoropyridine
Molecular formula: C5Cl2F3N
Molecular weight: 201.96

Names & synonyms

3,5-DICHLORO-2,4,6-TRIFLUOROPYRIDINE1737-93-5Pyridine, 3,5-dichloro-2,4,6-trifluoro-3,5-Dichlorotrifluoropyridine3,5-Dichloro-2,4-6-trifluoropyridineDTXSID2042357939242TZ0LDCTFPYRefChem:91456DTXCID0022357217-088-32,4,6-trifluoro-3,5-dichloropyridine

Show more names

LABOTEST-BB LT00848192,5-Dichlorotrifluoropyridine3,5-Dichloro2,4,6-trifloro pyridine3,5-Dichlloro-2,4,6-trifluoropyridine3,5-Dichloro-2,4,6-trifluoropyridine>

MFCD000062263,5-dichloro-2,4,6-trifluoro-pyridine2,6-Dichloro-1,3,5-trifluorobenzene2,4,6-trifluoro-3,5-dichloro pyridineUNII-939242TZ0LEINECS 217-088-3NA9264SCHEMBL282140

Database identifiers

CAS: 1737-93-5
PubChem CID: 61273
DTXSID: DTXSID2042357
UNII: 939242TZ0L
EC Number: 217-088-3
Nikkaji: J127.321C

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 134

Experimental & physicochemical properties

Chemical ClassesToxic Gases & Vapors -> Other Toxic Gases & Vapors

Physical Description · 3 items

3,5-dichloro-2,4,6-trifluoropyridine appears as a colorless liquid. Insoluble in water and denser than water. Hence sinks in water. Contact may irritate skin, eyes, and mucous membranes. Very toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

Liquid

Colorless liquid; [CAMEO]

Physicochemical properties

Melting point: 23 · 23-24 °C
Boiling point: 159 · 159-160 °C(lit.)
Density: 1.622 g/mL · 1.622 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.478(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -4.3 · -4.30±0.10(Predicted)
Specific Gravity: 1.622 · 1.622
BRN: 475874 · 475874
Henry's Law Constant: 1.6 · 1.6×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C5Cl2F3N/c6-1-3(8)2(7)5(10)11-4(1)9
InChIKey: PKSORSNCSXBXOT-UHFFFAOYSA-N
SMILES: C1(F)=NC(F)=C(Cl)C(F)=C1Cl
CAS DataBase Reference: 1737 · 1737-93-5(CAS DataBase Reference)
FDA UNII: 939242 TZ0L · 939242TZ0L
NIST Chemistry Reference: 3 · Pyridine, 3,5-dichloro-2,4,6-trifluoro-(1737-93-5)
EPA Substance Registry System: 3 · Pyridine, 3,5-dichloro-2,4,6-trifluoro- (1737-93-5)
Symbol(GHS): 6 · GHS06,GHS05,GHS09
Signal word: Danger
Hazard statements: 300 · H300-H310-H318-H400-H410-H315-H319-H330-H335
Precautionary statements: 301 · P301+P310a-P304+P340-P320-P330-P405-P501a-P260-P284-P305+P351+P338-P310
Hazard Codes: Xi,T,T+
Risk Statements: 36 · 36/37/38-26
Safety Statements: 26 · 26-37/39-36-45-36/37-28
RIDADR: 3382 · UN 3382 6.1/PG 1
WGK Germany: 3 · 3
Hazard Note: Toxic
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: II

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (17.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 118 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards IdentificationToxic/poison by inhalation (TIH/PIH)

Regulatory Information · 2 items

Pyridine, 3,5-dichloro-2,4,6-trifluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 3,5-dichloro-2,4,6-trifluoro- 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.

DOT LabelPoison Inhalation Hazard

Fire Hazards · 2 items

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.

Health Hazards · 2 items

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin.

Hazards SummaryAn irritant to the skin, eyes, and upper respiratory tract; Very toxic if ingested, inhaled, or absorbed through the skin; May produce corrosive gases if heated; Containers may explode if heated; [CAMEO]

Safety & protection

Fire FightingExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.

First Aid · 2 items

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

General First Aid:

Exposure Control and Personal Protection · 2 items

· Wear positive pressure self-contained breathing apparatus (SCBA).

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

Nonfire Spill ResponseExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

Isolation and Evacuation · 4 items

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

Immediate precautionary measure

Small spill:

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

wgk: 3
tsca: TSCA listed
ridadr: UN 3382 6.1/PG 1
risk_code: 36/37/38-26
Signal word: Danger
Symbol(GHS): GHS06,GHS05,GHS09
hazard_code: Xi,T,T+
hazard_note: Toxic
safety_code: 26-37/39-36-45-36/37-28
hazard_class: 6.1
packing_group: II
Hazard statements: H300-H310-H318-H400-H410-H315-H319-H330-H335
Precautionary statements: P301+P310a-P304+P340-P320-P330-P405-P501a-P260-P284-P305+P351+P338-P310

Chemistry & industry

Uses & manufacturing

UsesUsed as a chemical intermediate; [CAMEO]

U.S. Production2023: 1,000,000 - <5,000,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 items

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Pyridine, 3,5-dichloro-2,4,6-trifluoro-: ACTIVE

Applications · 2 items

Uses3,5-Dichloro-2,4,6-trifluoropyridine serves as a base for agrochemicals[3]. The compound acts as a precursor in Suzuki–Miyaura reactions with arylboronic acids to prepare 3,5-diaryl-2,4,6-trifluoropyridines and 5-aryl-3-chloro-2,4,6-trifluoropyridines, and reacts with sodium methoxide to yield 3,5-dichloro-2-methoxy-4,6-difluoropyridine[1][2]. A 2% formulation of the substance is applied to skin samples[3].

General DescriptionA colorless liquid. Insoluble in water and denser than water. Hence sinks in water. Contact may irritate skin, eyes, and mucous membranes. Very toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.