Pyridine, 2,3,5-trichloro- (HCID 27666)

名称と識別子

優先名称: Pyridine, 2,3,5-trichloro-
IUPAC: 2,3,5-trichloropyridine
現地名: 2,3,5-トリクロロピリジン
英語名: 2,3,5-Trichloropyridine
分子式: C5H2Cl3N
分子量: 182.44

名称と別名

2,3,5-TRICHLOROPYRIDINE16063-70-0Pyridine, 2,3,5-trichloro-BRN 0119384DTXSID40166952EC 407-270-2RefChem:870581DTXCID9089443407-270-2627-924-22,3,5-TRICHLORO PYRIDINEMFCD00043007

名称をさらに表示

2,3,5-トリクロロピリジン3,5,6-トリクロロピリジン2,3,5-トリクロロピリジン塩化物Dichlorostannane2,3,5-TrichL5-TrichloropyridineTrichloropyridine,98%2,3,5-trichloro-pyridin3,5,6-Trichloropyridine2,3,5-TRICHLOROPYRIDINE 98+%2,3,5-Trichloropyridine, ≥ 98.0%

516063-70-02,3,5-Trichloro-pyridine2, 3, 5-trichloropyridineSCHEMBL550269STK762573CS-W001198PB48080EU-0067746

データベース識別子

CAS: 16063-70-0
PubChem CID: 27666
DTXSID: DTXSID40166952
EC Number: 407-270-2、627-924-2
Nikkaji: J38.527A

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: 1
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 98.2

物理化学的性質

融点: 46 · 46-50 °C (lit.)
沸点: 219 °C · 219 °C (lit.)
比重(密度): 1.539 · 1.539±0.06 g/cm3(Predicted)
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): -2.92 · -2.92±0.10(Predicted)
外見: 個体
色: オフホワイトからペールイエロー
水溶解度: 水にわずかに溶ける。
BRN: 119384 · 119384
InChI: InChI=1S/C5H2Cl3N/c6-3-1-4(7)5(8)9-2-3/h1-2H
InChIKey: CNLIIAKAAMFCJG-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(Cl)C=C1Cl
CAS データベース: 16063 · 16063-70-0(CAS DataBase Reference)

化学的性質

化学的特性Beige powder

安全と法規制

GHS分類

GHS Classification · 6 件

H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 reports by companies from 2 notifications to the ECHA C&L Inventory.

H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

危険有害性情報

Regulatory InformationStatus: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/14071

Hazard Classes and Categories · 4 件

Aquatic Chronic 3 (100%)

Hazardous to the aquatic environment (chronic) - category 3

Aquatic Chronic 3

安全データ

wgk: 2
rtecs: UU0525000
ridadr: UN 2811 6.1/PG 3
毒性: mouse,LD50,intraperitoneal,430mg/kg (430mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LIVER: FATTY LIVER DEGERATIONBEHAVIORAL: ANTIPSYCHOTIC,Toxicology and Applied Pharmacology. Vol. 11, Pg. 361, 1967.
hs_code: 29333990
risk_code: 52/53-36/37/38
化審法: (5)-5258
hazard_code: Xi
hazard_note: Irritant
safety_code: 61-37/39-26
hazard_class: 6.1
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 3Eye Dam. 1Skin Sens. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用2,3,5-Trichloropyridine may be used in the synthesis of 3,5-dichloro-2-arylpyridines via palladium acetate-catalyzed ligand-free Suzuki reaction with arylboronic acids.

一般的な説明Separation and migration behavior of 2,3,5-trichloropyridine has been studied by micellar electrokinetic chromatography. Crystal structure of 2,3,5-trichloropyridine has been reported. Mol-ecules of 2,3,5-trichloropyridine in crystal are stacked along the short a axis and forms a layer structure. 2,3,5-Trichloropyridine is reported to undergo nucleophilic displacement reaction in ionic liquid to afford the corresponding 2-aryloxylpropionate.