2-ブロモピリジン

2-Bromopyridine

HCID 7973CAS 109-04-6

基本情報

標準SMILES
Brc1ccccn1
InChIKey
IMRWILPUOVGIMU-UHFFFAOYSA-N
分子式
C5H4BrN
平均分子量
158 g/mol
単同位体質量
156.95271123

概要

2-bromopyridine is a monobromopyridine.

名称と識別子

優先名称
2-Bromopyridine
IUPAC
2-bromopyridine
現地名
2-ブロモピリジン
英語名
2-Bromopyridine
分子式
C5H4BrN
分子量
158

名称と別名

2-BROMOPYRIDINE109-04-6o-Bromopyridine2-Pyridyl bromidePyridine, 2-bromo-2-bromopyridinbeta-Bromopyridinealpha-BromopyridinePyridine, 2-bromo-,.beta.-Bromopyridine7Z7MLC4VD8NSC 8031
名称をさらに表示
2-ブロモピリジン2ブロモピリジン2‐ブロモピリジン2-ピリジルブロミド(2-ピリジル)ブロミド2-ピリジニルブロミド-BromopyridinePyridine,2-bromo-2-BROMOPYRIDINE FOR SYNTHESIS-Bromoazine2-Brompyridin2-bromo-pyridin2-pyridylbromideAKOS BBS-00004324
.alpha.-BromopyridinePyridin-2-yl bromideDTXSID6051564CHEBI:51574UNII-7Z7MLC4VD8NSC-8031EINECS 203-641-6BRN 0105789

データベース識別子

CAS
109-04-6
PubChem CID
7973
DTXSID
DTXSID6051564
ChEMBL
CHEMBL331374
ChEBI
CHEBI:51574
UNII
7Z7MLC4VD8
EC Number
203-641-6
Nikkaji
J32.655K

物性

構造計算による物性

XLogP
1.4
極性表面積
12.9 Ų
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
7

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.42
Vapor Pressure1.0 [mmHg]
Physical DescriptionColorless oily liquid; [EPA - PPRTV] Pale yellow or colorless liquid; [Alfa Aesar MSDS]

物理化学的性質

融点
193 °C · 193°C
沸点
192 · 192-194 °C (lit.)
比重(密度)
1.657 g/mL · 1.657 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.572(lit.)
闪点
130 °F · 130 °F
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature

化学的性質

化学的特性light yellow oily or dark red liquid. miscible with ethanol, ether, benzene and pyridine, still soluble in water.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (16.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Pyridine, 2-bromo-

Status: Active Update: 16-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18620

2-Bromopyridine: HSNO Approval: HSR006014 Approved with controls

Hazards SummaryA skin and strong eye irritant; Toxic by ingestion; Highly toxic by skin absorption; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (16.7%)

毒性情報

Toxicity DataLC50 (rat) < 200,000 mg/m3/1hr
EPA Provisional Peer-Reviewed Toxicity Values · 3 件

2-Bromopyridine

PDF Document

2011

安全データ

F
8
wgk
3
tsca
TSCA listed
rtecs
US3850000
ridadr
UN 2929 6.1/PG 2
hs_code
29333999

化学と産業

用途と製造

UsesUsed to make pharmaceuticals, agricultural chemicals, pyrithione-based biocides, and other organic chemicals; [ExPub: EPA - PPRTV]
General Manufacturing InformationPyridine, 2-bromo-: ACTIVE

応用分野

用途有機合成原料。

使用2-Bromopyridine is a 2-halogenated pyridine used in the preparation of a variety of biologically active compounds such as antimalarial agents and beta-adrenoceptor agonist.

調製方法 · 2 件

製造方法2-Bromopyridine is synthesized from 2-aminopyridine by bromination. In industrial production, hydrobromic acid (over 48%) is first cooled to below 0°C, 2-aminopyridine is slowly added, and then liquid bromine is added dropwise in a salt bath under freezing, and the rate of addition is to control the reaction temperature below -5°C appropriate. After adding, add sodium nitrite aqueous solution dropwise, control the reaction temperature to be below 0°C, stir for 20-30min, dropwise add 50% sodium hydroxide solution, extract the reaction solution with ether, wash with water, dry with anhydrous sodium sulfate, filter, and recover Diethyl ether, the residue was distilled under reduced pressure, and the 88°C-94°C/3333Pa fraction was collected to obtain the finished product of 2-bromopyridine with a yield of 83.8%.

純化方法Dry 2-bromopyridine over KOH for several days, then distil it from CaO under reduced pressure, and taking the middle fraction. [Beilstein 20/5 V 422.]

サプライヤー50 社

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