3-(1H-ベンズイミダゾール-2-イル)アニリン

3-(1H-1,3-benzodiazol-2-yl)aniline

HCID 348695CAS 7596-74-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIKey: JHTBOVFZNCAYFZ-UHFFFAOYSA-N
分子式: C13H11N3
平均分子量: 209.25 g/mol
単同位体質量: 209.09529736

名称と識別子

優先名称: 3-(1H-1,3-benzodiazol-2-yl)aniline
IUPAC: 3-(1H-benzimidazol-2-yl)aniline
現地名: 3-(1H-ベンズイミダゾール-2-イル)アニリン
英語名: 3-(1H-Benzimidazol-2-yl)aniline
分子式: C13H11N3
分子量: 209.25

名称と別名

3-(1H-1,3-benzodiazol-2-yl)anilineRefChem:489749636-044-87596-74-93-(1H-benzimidazol-2-yl)aniline3-(1H-BENZO[D]IMIDAZOL-2-YL)ANILINE3-(1H-Benzoimidazol-2-yl)-phenylamineMFCD006004073-benzimidazol-2-ylphenylamineSMR000015589NSC408147Benzenamine, 3-(1H-benzimidazol-2-yl)-

名称をさらに表示

3-(1H-ベンズイミダゾール-2-イル)アニリン3-(1H-benz[d]imidazol-2-yl)aniline3-(1H-benzo[d]iMidazol-2-yl)benzenaMine3-(1H-benzimidazol-2-yl)aniline(SALTDATA: FREE)

Cambridge id 5760621Oprea1_160905Oprea1_647109MLS000103357MLS000108485SCHEMBL7588452-(3-aminophenyl)benzimidazoleCHEMBL1313788

データベース識別子

CAS: 7596-74-9
PubChem CID: 348695
DTXSID: DTXSID80324993
ChEMBL: CHEMBL1313788
EC Number: 636-044-8
Nikkaji: J340.016F

物性

構造計算による物性

XLogP: 2.6
極性表面積: 54.7 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 243

物理化学的性質

融点: 252 · 252-253 °C
沸点: 482.5 · 482.5±47.0 °C(Predicted)
比重(密度): 1.286 · 1.286±0.06 g/cm3(Predicted)
酸解離定数(Pka): 11.5 · 11.50±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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+P317, P302+P352, P304+P340, P305+P351+P338, 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 40 reports by companies from 3 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. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

hazard_class: IRRITANT

化学と産業

サプライヤー14 社

山东普创医药科技有限公司18953403321 · [email protected]

Clearsynth Labs Limited+91-22-26355700 · [email protected]

上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]

上海源叶生物科技有限公司13636370518 · [email protected]

上海林栎生物科技有限公司13761635123 · [email protected]