3,5-Dibromopyridine (HCID 69369)

名称と識別子

優先名称: 3,5-Dibromopyridine
IUPAC: 3,5-dibromopyridine
現地名: 3,5-ジブロモピリジン
英語名: 3,5-Dibromopyridine
分子式: C5H3Br2N
分子量: 236.89

名称と別名

3,5-Dibromopyridine625-92-3CHEBI:51593DTXSID3073921RefChem:486667DTXCID2043377210-916-4Pyridine, 3,5-dibromo-MFCD000146343,5-dibromo-pyridine3,5-dibromopyridin3,5-dibromo pyridine

名称をさらに表示

3,5-ジブロモピリジン3，5ジブロモピリジン3,5-ジブロモピリジン臭化物3,5‐ジブロモピリジンNSC 62093,5-DibrompyridinIFLAB-BB F1995-01903,5-dibormopyridineTIMTEC-BB SBB0032373,5-Dibromopyridine>Perampanel Impurity 123,5-Dibromopyridine,99%

3.5-Dibromopyridine3,5-dibromo-pyridinHY-Y0491CS-W019948PS-4092AC-907/30002039F1995-0190Z57070461

データベース識別子

CAS: 625-92-3
PubChem CID: 69369
DTXSID: DTXSID3073921
ChEBI: CHEBI:51593
EC Number: 210-916-4
Nikkaji: J79.765K

物性

構造計算による物性

XLogP: 2.2
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

物理化学的性質

融点: 110 · 110-115 °C (lit.)
沸点: 222 °C · 222 °C
比重(密度): 2.0383 · 2.0383 (rough estimate)
屈折率: 1.58 · 1.5800 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: DMSO（微量、加熱）、メタノール（微量）
酸解離定数(Pka): 0.52 · 0.52±0.20(Predicted)
外見: 針状結晶
色: ホワイトからライトベージュ
水溶解度: クロロホルム、メタノールに可溶。水に不溶。
BRN: 108477 · 108477
InChI: 1S/C5H3Br2N/c6-4-1-5(7)3-8-2-4/h1-3H
InChIKey: SOSPMXMEOFGPIM-UHFFFAOYSA-N
SMILES: Brc1cncc(Br)c1
CAS データベース: 625 · 625-92-3(CAS DataBase Reference)
NISTの化学物質情報: 3 · 3,5-Dibromopyridine(625-92-3)
EPAの化学物質情報: 3 · 3,5-Dibromopyridine (625-92-3)

化学的性質

化学的特性Light-Yellow Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (18.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (15.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (15.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (96.2%): 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+P351+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 53 reports by companies from 10 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.

危険有害性情報

Regulatory Information3,5-Dibromopyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (18.9%)；Acute Tox. 4 (15.1%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (15.1%)；STOT SE 3 (96.2%)

法規制情報

Regulatory Information3,5-Dibromopyridine: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
ridadr: UN2811
hs_code: 29333999
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用3-Acetylamino-5-ethoxypyridine was prepared by converting 3, 5-dibromopyridine with sodium ethylate into 3-bromo-5-ethoxypyridine, allowing this substance to interact with ammonia and acetylating the aminoethoxypyridine thus formed with acetic anhydride. Lithiation of 3, 5-dibromopyridine with LDA and subsequent reaction with electrophiles provided 4-alkyl-3, 5-dibromopyridines 2 in high yield. Ligand was prepared by a Pd(0)-catalyzed cross-coupling reaction of 3,5-dibromopyridine and 5-tributylstannyl-3,3-bipyridine. The synthesis of 3, 5-bis (2-indolyl) pyridine and 3-[(2-indolyl)-5-phenyl] pyridine derivatives as includes Stille or Suzuki type reactions, which were realized on the 3,5-dibromopyridine.

一般的な説明3,5-Dibromopyridine undergoes lithiation with lithium diisopropylamide and on subsequent reaction with electrophiles yields 4-alkyl-3,5-dibromopyridines.

上流・下流製品情報

下流製品

5-ブロモ-2-フルオロ-3-メトキシピリジン 5-(ベンジルオキシ)ピリジン-3-アミン 3-アミノ-5-ヒドロキシピリジン 5-methoxypyridin-3-amine 3-ベンジルオキシ-5-ブロモピリジン 5-ブロモピリジン-3-ボロン酸臭化物 3-アミノ-5-ブロモピリジン 3-ブロモ-5-フルオロピリジン臭化物 5-メトキシピリジン-3-カルボアルデヒド 3-ブロモ-5-(メチルチオ)ピリジン 2-(5-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)ピリジン-3-イル)プロパン-2-オール 4,6-Di(4-carboxyphenyl)pyrimidine

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3,5-ジブロモピリジン

基本情報