CAS 17672-26-3 3-Hydrazinylbenzonitrile (HCID 1488145)

基本情報

CAS: 17672-26-3
標準SMILES: N#Cc1cccc(NN)c1
InChIKey: SBOSIWQIJOMACM-UHFFFAOYSA-N
分子式: C7H7N3
平均分子量: 133.15 g/mol
単同位体質量: 133.06399722

名称と識別子

優先名称: 3-Hydrazinylbenzonitrile
IUPAC: 3-hydrazinylbenzonitrile
英語名: 3-Cyanophenylhydrazine hydrochloride
分子式: C7H7N3
分子量: 133.15

名称と別名

3-hydrazinylbenzonitrileRefChem:502254691-804-63-hydrazinobenzonitrile17672-26-33-CyanophenylhydrazineBenzonitrile, 3-hydrazinyl-MFCD03030048Benzonitrile, 3-hydrazino-3-Hydrazino-benzonitrile3-Hydrazinobenzonitrile hydrochlorideZINC04218932

名称をさらに表示

AKOS BBS-000070373-CYANOPHENYLHYDRAZINE HCL 98%3-Cyanophenylhydrazine Hydrochlorid

3-hydrazineylbenzonitrileBenzonitrile, m-hydrazino-YU3SXS654R3-hydrazinobenzenecarbonitrilehydrazine, (3-cyano)phenyl-SCHEMBL897627SCHEMBL29574760VITAS-BB TBB000198

データベース識別子

CAS: 17672-26-3
PubChem CID: 1488145
DTXSID: DTXSID80363382
UNII: YU3SXS654R
EC Number: 691-804-6

物性

構造計算による物性

XLogP: 0.9
極性表面積: 61.8 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 146

物理化学的性質

融点: 157 · 157-158℃
沸点: 301.5 · 301.5±25.0 °C(Predicted)
比重(密度): 1.19 · 1.19
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
外見: powder
酸解離定数(Pka): 4.48 · 4.48±0.10(Predicted)
色: Light amber/faint orange
CAS データベース: 17672 · 17672-26-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 2 reports by companies from 2 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 (100%)

安全データ

hs_code: 2928009090
hazard_code: Xi
hazard_note: Irritant

化学と産業

応用分野

使用3-Hydrazinobenzonitrile Hydrochloride is used in the synthesis of hydrolase and lipase inhibitors which may be used in the therapeutic treatment of obesity.