3-クロロ-2-フルオロ-5-(トリフルオロメチル)ピリジン

3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine

HCID 1268075

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 72537-17-8
標準SMILES: Fc1ncc(C(F)(F)F)cc1Cl
InChIKey: GDSROTVTTLUHCO-UHFFFAOYSA-N
分子式: C6H2ClF4N
平均分子量: 199.53 g/mol
単同位体質量: 198.98118962

名称と識別子

優先名称: 3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine
IUPAC: 3-chloro-2-fluoro-5-(trifluoromethyl)pyridine
現地名: 3-クロロ-2-フルオロ-5-(トリフルオロメチル)ピリジン
英語名: 3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINE
分子式: C6H2ClF4N
分子量: 199.53

名称と別名

3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine72537-17-8DTXSID40361445RefChem:278154DTXCID60312494625-955-6MFCD00191918Pyridine, 3-chloro-2-fluoro-5-(trifluoromethyl)-3-chloro-2-fluoro-5-trifluoromethylpyridineSCHEMBL805963SCHEMBL30285317SBB054395

名称をさらに表示

3-クロロ-2-フルオロ-5-(トリフルオロメチル)ピリジン2-FLUORO-3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINECHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINE3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine >3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine 98%2-Fluoro-3-chloro-5-(trifluoromethyl)pyridine (co-product)TIANFU-CHEM 3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINE3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINE ISO 9001：2015 REACH

AKOS006221193AB04634CS-W010502FS-4057AC-23340BP-12792SY033483DB-055650

データベース識別子

CAS: 72537-17-8
PubChem CID: 1268075
DTXSID: DTXSID40361445
EC Number: 625-955-6
Nikkaji: J2.071.196E

物性

構造計算による物性

XLogP: 2.8
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: 5
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 160

物理化学的性質

融点: 16 · 16-20 °C (lit.)
沸点: 50 · 50-55 °C/11 mmHg (lit.)
比重(密度): 1.524 g/mL · 1.524 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.433(lit.)
闪点: 125 °F · 125 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: 液体
色: 無色
InChI: InChI=1S/C6H2ClF4N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChIKey: GDSROTVTTLUHCO-UHFFFAOYSA-N
SMILES: C1(F)=NC=C(C(F)(F)F)C=C1Cl
CAS データベース: 72537 · 72537-17-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29333990
risk_code: 10-36/37/38
消防法: 危-4-2-III
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
hazard_class: 3.2
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野

一般的な説明3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine, a halogenated pyridine derivative, is a fluorinated building block. It participates in the synthesis of 2,3-difluoro-5-(trifluoromethyl)pyridine.