3,5-Dichloropyridine (HCID 17153)

名称と識別子

優先名称: 3,5-Dichloropyridine
IUPAC: 3,5-dichloropyridine
現地名: 3,5-ジクロロピリジン
英語名: 3,5-Dichloropyridine
分子式: C5H3Cl2N
分子量: 147.99

名称と別名

3,5-DICHLOROPYRIDINEPyridine, 3,5-dichloro-CCRIS 1719EINECS 219-537-9D9K92ASQ4DNSC 60546BRN 0001973NSC-60546DTXSID601793075-20-05-00417 (Beilstein Handbook Reference)Pyridine, 3,5dichloroRefChem:91493

名称をさらに表示

3,5-ジクロロピリジン3,5-ジクロロピリジン塩化物3,5-CHLOROPYRIDINE3,5-dichloro-pyridin3.5-Dichloropryidine3,5-DichloripyridineDichloropyridine,98%3,5-Dichloroypyridine3,5-Dichloropyridine,97%

DTXCID50101798219-537-9InChI=1/C5H3Cl2N/c6-4-1-5(7)3-8-2-4/h1-3WPGHPGAUFIJVJF-UHFFFAOYSA-N2457-47-8MFCD00006376Etoricoxib Impurity 50NSC 60546;

データベース識別子

CAS: 2457-47-8
PubChem CID: 17153
DTXSID: DTXSID60179307
UNII: D9K92ASQ4D
EC Number: 219-537-9
Nikkaji: J51.305I

物性

構造計算による物性

XLogP: 2.6
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: 8
形式電荷: 0
複雑度: 68.8

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Vapor Pressure0.77 [mmHg]

Physical DescriptionWhite crystalline powder with an unpleasant odor; [Alfa Aesar MSDS]

物理化学的性質

融点: 65 · 65-67 °C (lit.)
沸点: 178 °C · 178 °C
比重(密度): 1.39 · 1.39
闪点: 110 °C · >110°C
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: クロロホルム、酢酸エチル
外見: 個体
酸解離定数(Pka): 0.32 · 0.32±0.10(Predicted)
色: ホワイトからオフホワイトへ低融点
BRN: 1973 · 1973
InChI: InChI=1S/C5H3Cl2N/c6-4-1-5(7)3-8-2-4/h1-3H
InChIKey: WPGHPGAUFIJVJF-UHFFFAOYSA-N
SMILES: C1=NC=C(Cl)C=C1Cl
CAS データベース: 2457 · 2457-47-8(CAS DataBase Reference)
NISTの化学物質情報: 3 · Pyridine, 3,5-dichloro-(2457-47-8)

化学的性質

化学的特性White to yellow powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryCauses somnolence and fatty liver degeneration in intraperitoneal lethal-dose studies of mice (LD50 = 1,180 mg/kg); [RTECS] A skin and strong eye irritant; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See 3-Chloropyridine.

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin

安全データ

wgk: 3
rtecs: US8575000
ridadr: UN2811
hs_code: 29333990
risk_code: 22-37/38-41-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-39-36
hazard_class: 6.1
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

用途有機合成原料。

使用3,5-Dichloropyridine (cas# 2457-47-8) is a compound useful in organic synthesis.

調製方法

純化方法Crystallise 3,5-dichloropyridine from EtOH, or distil it. [den Hertog et al. Recl Trav Chim, Pays Bas 69 685 1950, Beilstein 20 H 23, 20 III/IV 2502, 20 V 417.]