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

Überblick

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.

Namen und Bezeichner

Bevorzugter Name: 3,5-Dichloro-2,4,6-trifluoropyridine
IUPAC: 3,5-dichloro-2,4,6-trifluoropyridine
Lokaler Name: 3,5-Dichlor-2,4,6-trifluorpyridin
Englischer Name: 3,5-Dichloro-2,4,6-trifluoropyridine
Summenformel: C5Cl2F3N
Molmasse: 201.96

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 134

Experimentelle und physikochemische Eigenschaften

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

Physical Description · 3 Einträge

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]

Physikochemische Eigenschaften

Schmelzpunkt: 23 · 23-24 °C
Siedepunkt: 159 · 159-160 °C(lit.)
Dichte: 1.622 g/mL · 1.622 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.478(lit.)
Flammpunkt: 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)
Wichte: 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 Datenbank: 1737 · 1737-93-5(CAS DataBase Reference)
NIST chemische Informationen: 3 · Pyridine, 3,5-dichloro-2,4,6-trifluoro-(1737-93-5)
EPA chemische Informationen: 3 · Pyridine, 3,5-dichloro-2,4,6-trifluoro- (1737-93-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazards IdentificationToxic/poison by inhalation (TIH/PIH)

Regulatory Information · 2 Einträge

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 Einträge

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 Einträge

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]

Sicherheit und Schutzausrüstung

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

Accidental Release Measures · 2 Einträge

· 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 Einträge

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

General First Aid:

Exposure Control and Personal Protection · 2 Einträge

· 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 Einträge

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

Immediate precautionary measure

Small spill:

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3382 6.1/PG 1
risk_code: 36/37/38-26
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

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as a chemical intermediate; [CAMEO]

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

Industry UsesIntermediate

General Manufacturing Information · 2 Einträge

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

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

Anwendungen · 1 Eintrag

Verwenden3,5-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].