2-アミノ-3,5-ジブロモピラジン

2-Amino-3,5-dibromopyrazine

HCID 620004CAS 24241-18-7

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1ncc(Br)nc1Br
InChIKey: DTLBKXRFWUERQN-UHFFFAOYSA-N
分子式: C4H3Br2N3
平均分子量: 252.89 g/mol
単同位体質量: 250.8693713

名称と識別子

優先名称: 2-Amino-3,5-dibromopyrazine
IUPAC: 3,5-dibromopyrazin-2-amine
現地名: 2-アミノ-3,5-ジブロモピラジン
英語名: 2-Amino-3,5-dibromopyrazine
分子式: C4H3Br2N3
分子量: 252.89

名称と別名

2-Amino-3,5-dibromopyrazine24241-18-7DTXSID50347316RefChem:463598DTXCID40298388628-514-63,5-dibromopyrazin-2-amine3,5-Dibromo-2-pyrazinamineAmino-3,5-dibromopyrazine3,5-Dibromopyrazin-2-ylamineMFCD006731503,5-Dibromopyrazine-2-ylamine

名称をさらに表示

2-アミノ-3,5-ジブロモピラジン3,5-ジブロモピラジン-2-アミン2-AMINO-3,5-DIBROMOPYRAZIN2-Amino-3,5-dibromop3,5-dibromo-2-aminopAlprostadil Impurity 165-dibromo-2-aminopyrazine

2,6-dibromopyrazin-3-amine3,5-DIBROMO-2-AMINOPYRAZINE2-Amino-3,5-dibromopyrazine;2-Amino-3,5-dibromopyrazinePyrazinamine, 3,5-dibromo-3,5-dibromopyrazine-2-amine2-amino-3,5-dibromo pyrazine2-amino-dibromopyrazineSCHEMBL41047

データベース識別子

CAS: 24241-18-7
PubChem CID: 620004
DTXSID: DTXSID50347316
EC Number: 628-514-6
Nikkaji: J1.282.790C

物性

構造計算による物性

XLogP: 1.5
極性表面積: 51.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 99.8

物理化学的性質

融点: 114 · 114-117 °C (lit.)
沸点: 294.6 · 294.6±35.0 °C(Predicted)
比重(密度): 2.287 · 2.287±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
溶解性: soluble in Methanol
酸解離定数(Pka): 0.81 · 0.81±0.10(Predicted)
外見: 粉
色: 黄色から茶色
InChI: InChI=1S/C4H3Br2N3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8)
InChIKey: DTLBKXRFWUERQN-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Br)N=C1Br
CAS データベース: 24241 · 24241-18-7(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (80.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 15-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33599

Hazard Classes and CategoriesAcute Tox. 3 (80.4%)

安全データ

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29339900
risk_code: 22-37/38-41
hazard_code: Xn,Xi
safety_code: 26-36/39
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用2-Amino-3,5-dibromopyrazine is used in the preparation of conjugated polymers for neurotoxin detection. 2-Amino-3,5-dibromopyrazine is an intermediate in the preparation of rho kinase (ROCK) inhibitor s.

一般的な説明2-Amino-3,5-dibromopyrazine can be synthesized from 2-aminopyrazine via bromination using N-bromosuccinimide (NBS). It reacts with sodium dicyanocuprate to form a mixture of mono and dicyanation products. The formation of 2-aminothiazolopyrazines by reacting 2-amino-3,5-dibromopyrazine with isothiocyanates has been reported.