2-クロロ-3-ヒドラジノピラジン

2-Chloro-3-hydrazinopyrazine

HCID 321430

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 63286-28-2
標準SMILES: NNc1nccnc1Cl
InChIKey: PUUGNIKJWZNTBK-UHFFFAOYSA-N
分子式: C4H5ClN4
平均分子量: 144.56 g/mol
単同位体質量: 144.0202739

名称と識別子

優先名称: 2-Chloro-3-hydrazinopyrazine
IUPAC: (3-chloropyrazin-2-yl)hydrazine
現地名: 2-クロロ-3-ヒドラジノピラジン
英語名: 3-Chloro-2-hydrazino-1,2-dihydropyrazine hydrochloride
分子式: C4H5ClN4
分子量: 144.56

名称と別名

2-Chloro-3-hydrazinopyrazineRefChem:468689640-727-62-chloro-3-hydrazinylpyrazine63286-28-2(3-chloropyrazin-2-yl)hydrazine1-(3-chloropyrazin-2-yl)hydrazineMFCD082728042-(3-CHLOROPYRAZIN-2-YL)HYDRAZINE3-chloro-2-hydrazinopyrazine2-chloro-3-hydrazineylpyrazineSCHEMBL1179963

名称をさらに表示

2-クロロ-3-ヒドラジノピラジンoro-3-hydrazinyLPyrazine,2-chloro-3-hydrazinyl-2-Chloro-3-hydrazinopyrazine, 97%min2-chloro-3-hydrazinopyrazine(SALTDATA: FREE)

DTXSID00313546STL134905AKOS005745086PB16012SY0310073-Chloro-2(H)-pyrazinone hydrazoneNSC272203AM20070436

データベース識別子

CAS: 63286-28-2
PubChem CID: 321430
DTXSID: DTXSID00313546
EC Number: 640-727-6
Nikkaji: J3.477.953H

物性

構造計算による物性

XLogP: 0.3
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: 9
形式電荷: 0
複雑度: 88

物理化学的性質

融点: 154 · 154-159°C
沸点: 271 · 271.0±23.0 °C(Predicted)
比重(密度): 1.63 · 1.63±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
溶解性: DMSO（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 1.27 · 1.27±0.20(Predicted)
色: 非常に濃い赤から茶色
InChI: 1S/C4H5ClN4/c5-3-4(9-6)8-2-1-7-3/h1-2H,6H2,(H,8,9)
InChIKey: PUUGNIKJWZNTBK-UHFFFAOYSA-N
SMILES: NNc1nccnc1Cl

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95.1%): 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+P316, 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 41 reports by companies from 4 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

Hazard Classes and CategoriesAcute Tox. 3 (97.6%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (95.1%)；STOT SE 3 (100%)

安全データ

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933998090
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
hazard_class: 6.1
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects