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

概要

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.

名称と識別子

優先名称: 3,5-Dichloro-2,4,6-trifluoropyridine
IUPAC: 3,5-dichloro-2,4,6-trifluoropyridine
現地名: 3,5-ジクロロ-2,4,6-トリフルオロピリジン
英語名: 3,5-Dichloro-2,4,6-trifluoropyridine
分子式: C5Cl2F3N
分子量: 201.96

名称と別名

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

名称をさらに表示

3,5-ジクロロ-2,4,6-トリフルオロピリジン2,4,6-トリフルオロ-3,5-ジクロロピリジン3，5ジクロロ2，4，6トリフルオロピリジン3，5‐ジクロロ‐2，4，6‐トリフルオロピリジン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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.1
極性表面積: 12.9 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 134

実験および物理化学的性質

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

Physical Description · 3 件

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]

物理化学的性質

融点: 23 · 23-24 °C
沸点: 159 · 159-160 °C(lit.)
比重(密度): 1.622 g/mL · 1.622 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.478(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): -4.3 · -4.30±0.10(Predicted)
比重: 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 データベース: 1737 · 1737-93-5(CAS DataBase Reference)
NISTの化学物質情報: 3 · Pyridine, 3,5-dichloro-2,4,6-trifluoro-(1737-93-5)
EPAの化学物質情報: 3 · Pyridine, 3,5-dichloro-2,4,6-trifluoro- (1737-93-5)

化学的性質

化学的特性Clear colorless to pale yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazards IdentificationToxic/poison by inhalation (TIH/PIH)

Regulatory Information · 2 件

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 件

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 件

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]

安全と保護具

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

Accidental Release Measures · 2 件

· 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 件

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

General First Aid:

Exposure Control and Personal Protection · 2 件

· 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 件

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

Immediate precautionary measure

Small spill:

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3382 6.1/PG 1
risk_code: 36/37/38-26
消防法: 危-4-3-III
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

化学と産業

用途と製造

UsesUsed as a chemical intermediate; [CAMEO]

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

Industry UsesIntermediate

General Manufacturing Information · 2 件

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

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

応用分野 · 3 件

用途有機合成原料。

使用3,5-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].

一般的な説明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.