CAS 54453-91-7 2-Bromo-4-ethylpyridine (HCID 4114248)

基本情報

CAS: 54453-91-7
標準SMILES: CCc1ccnc(Br)c1
InChIKey: JMDIWBIWPAAWHP-UHFFFAOYSA-N
分子式: C7H8BrN
平均分子量: 186.05 g/mol
単同位体質量: 184.98401

名称と識別子

優先名称: 2-Bromo-4-ethylpyridine
IUPAC: 2-bromo-4-ethylpyridine
現地名: 2-ブロモ-4-エチルピリジン
英語名: 2-Bromo-4-ethylpyridine
分子式: C7H8BrN
分子量: 186.05

名称と別名

2-Bromo-4-ethylpyridine54453-91-7DTXSID30399459RefChem:257200DTXCID60350316803-831-42-bromo-4-ethyl-pyridine2-Bromo-4-ethyl pyridinePyridine, 2-bromo-4-ethyl-MFCD020942264-Ethyl-2-bromopyridineSCHEMBL648113

名称をさらに表示

2-ブロモ-4-エチルピリジン2-BROMO-4-ETHYLPYRDINE2-Bromo-4-ethylpyridine ISO 9001：2015 REACH

SCHEMBL14157164SCHEMBL20917665SCHEMBL254052372-Bromo-4-ethylpyridine, 96%JMDIWBIWPAAWHP-UHFFFAOYSA-N2-Bromo-4-ethylpyridine, AldrichCPRAKOS006280220AC-5289

データベース識別子

CAS: 54453-91-7
PubChem CID: 4114248
DTXSID: DTXSID30399459
EC Number: 803-831-4

物性

構造計算による物性

XLogP: 2.7
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: 1
重原子数: 9
形式電荷: 0
複雑度: 85

物理化学的性質

沸点: 68 · 68-70°[email protected] Hg
比重(密度): 1.425 g/cm3 · 1.425 g/cm3(Temp: 25 °C)
貯蔵温度: 2 · Sealed in dry,2-8°C
溶解性: クロロホルム、エーテル、酢酸エチル
外見: 黄色い液体
酸解離定数(Pka): 1.59 · 1.59±0.10(Predicted)
InChI: 1S/C7H8BrN/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3
InChIKey: JMDIWBIWPAAWHP-UHFFFAOYSA-N
SMILES: CCc1ccnc(Br)c1
CAS データベース: 54453 · 54453-91-7(CAS DataBase Reference)

化学的性質

化学的特性Yellow Liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.