3-ヒドラジニル-6-フェニルピリダジン

3-Hydrazinyl-6-phenylpyridazine

HCID 6409842

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部分構造検索類似構造を探す

基本情報

CAS: 38956-80-8
標準SMILES: NNc1ccc(-c2ccccc2)nn1
InChIKey: ZNGXOKMCRDQBON-UHFFFAOYSA-N
分子式: C10H10N4
平均分子量: 186.21 g/mol
単同位体質量: 186.09054634

名称と識別子

優先名称: 3-Hydrazinyl-6-phenylpyridazine
IUPAC: (6-phenylpyridazin-3-yl)hydrazine
現地名: 3-ヒドラジニル-6-フェニルピリダジン
英語名: 3-hydrazino-6-phenylpyridazine
分子式: C10H10N4
分子量: 186.21

名称と別名

38956-80-83-Hydrazinyl-6-phenylpyridazineRefChem:502250822-631-83-hydrazino-6-phenylpyridazine(6-phenylpyridazin-3-yl)hydrazineMFCD01219682pyridazine, 3-hydrazino-6-phenyl-SCHEMBL1752770CHEMBL3764140DTXSID50423366ZNGXOKMCRDQBON-UHFFFAOYSA-N

名称をさらに表示

(6-フェニルピリダジン-3-イル)ヒドラジン1-(6-フェニルピリダジン-3-イル)ヒドラジン3-ヒドラジニル-6-フェニルピリダジン1-(6-フェニル-3-ピリダジニル)ヒドラジン6-フェニル-3-ピリダジニルヒドラジン(6-phenyl-3-pyridazinyl)hydrazinePyridazine, 3-hydrazinyl-6-phenyl-6-hydrazono-3-phenyl-1,6-dihydropyridazine3-hydrazino-6-phenylpyridazine(SALTDATA: FREE)3-hydrazino-6-phenylpyridazine(SALTDATA: FREE) ISO 9001：2015 REACH

ALBB-0145411(6-phenylpyridazin-3-yl)hydrazineSTL5730041-(6-phenylpyridazin-3-yl)hydrazineAKOS000266308BS-3640DA-183953-Hydrazino-6-phenylpyridazine, AldrichCPR

データベース識別子

CAS: 38956-80-8
PubChem CID: 6409842
DTXSID: DTXSID50423366
ChEMBL: CHEMBL3764140
EC Number: 822-631-8
Nikkaji: J868.731E

物性

構造計算による物性

XLogP: 1.4
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: 2
重原子数: 14
形式電荷: 0
複雑度: 168

物理化学的性質

融点: 144 °C · 144 °C
沸点: 350.2 · 350.2±25.0 °C(Predicted)
比重(密度): 1.26 · 1.26±0.1 g/cm3(Predicted)
酸解離定数(Pka): 5.94 · 5.94±0.20(Predicted)
外見: solid
InChI: 1S/C10H10N4/c11-12-10-7-6-9(13-14-10)8-4-2-1-3-5-8/h1-7H,11H2,(H,12,14)
InChIKey: ZNGXOKMCRDQBON-UHFFFAOYSA-N
SMILES: NNC1=NN=C(C2=CC=CC=C2)C=C1

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P318, P330, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Dam. 1 (100%)；Carc. 2 (100%)

安全データ

wgk: 3
ridadr: UN 2811 6.1 / PGIII
risk_code: 25
hazard_code: T
safety_code: 45
Hazard Classifications: Acute Tox. 3 Oral
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects