2-Hydrazinopyrazine

HCID 1487823CAS 54608-52-5

基本情報

標準SMILES: NNc1cnccn1
InChIKey: IVRLZJDPKUSDCF-UHFFFAOYSA-N
分子式: C4H6N4
平均分子量: 110.12 g/mol
単同位体質量: 110.05924619

名称と識別子

優先名称: 2-Hydrazinopyrazine
IUPAC: pyrazin-2-ylhydrazine
英語名: 2-Hydrazinopyrazine
分子式: C4H6N4
分子量: 110.12

名称と別名

2-hydrazinopyrazineRefChem:472935689-669-32-hydrazinylpyrazine54608-52-5Pyrazin-2-yl-hydrazinepyrazin-2-ylhydrazineMFCD041145552(1H)-Pyrazinone, hydrazonehydrazino pyrazine2-(Pyrazin-2-yl)hydrazinePyrazin-2-yl hydrazine

名称をさらに表示

SELI-007HydrazinopyrazinePyrazinylhydrazine2-Hydrazinylpyrazin3-Hydrazine pyrazine2-hydrazineylpyrazine1-(pyrazin-2-ylydrazine

SCHEMBL108576OSM-S-650DTXSID50363374PB127981-(pyrazin-2-yl)hydrazine2-hydrazinylpypyrazinyl hydrazine3-hydrazinopyrazine

データベース識別子

CAS: 54608-52-5
PubChem CID: 1487823
DTXSID: DTXSID50363374
EC Number: 689-669-3
Nikkaji: J1.734.112J

物性

構造計算による物性

XLogP: -0.2
極性表面積: 63.8 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 65.1

物理化学的性質

融点: 109 · 109-113℃
沸点: 246.3 · 246.3±23.0 °C(Predicted)
比重(密度): 1.39 · 1.39±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 5.1 · 5.10±0.20(Predicted)
外見: 個体
色: 黄色
水溶解度: 水にわずかに溶ける。
InChI: InChI=1S/C4H6N4/c5-8-4-3-6-1-2-7-4/h1-3H,5H2,(H,7,8)
InChIKey: IVRLZJDPKUSDCF-UHFFFAOYSA-N
SMILES: C1(NN)=NC=CN=C1

化学的性質

化学的特性Pale yellow solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (95.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 44 reports by companies from 6 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 CategoriesAcute Tox. 4 (95.5%)

安全データ

hs_code: 29339900
risk_code: 22-41-36/37/38
hazard_code: Xn
safety_code: 26-39-36/37/39

化学と産業

応用分野

使用Triazolo[4,3-a]pyrazine 7-oxide, 3-β-D-ribofuranosyl-1,2,4-triazolo[4,3-a]pyrazine, monohydrazones of pyridine, pyrazine, phenylglyoxal were synthesised from 2-Hydrazinopyrazine.