1-フェニル-2,3-ジヒドロ-1H-ベンゾイミダゾール-2-オン

2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-

HCID 84657CAS 14813-85-5

部分構造検索類似構造を探す

基本情報

標準SMILES: O=c1[nH]c2ccccc2n1-c1ccccc1
InChIKey: OLMPQQPQSTVRPB-UHFFFAOYSA-N
分子式: C13H10N2O
平均分子量: 210.23 g/mol
単同位体質量: 210.07931295

名称と識別子

優先名称: 2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
IUPAC: 3-phenyl-1H-benzimidazol-2-one
現地名: 1-フェニル-2,3-ジヒドロ-1H-ベンゾイミダゾール-2-オン
英語名: 1-Phenyl-2,3-dihydro-1H-benzimidazole-2-one
分子式: C13H10N2O
分子量: 210.23

名称と別名

14813-85-52H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-1,3-Dihydro-1-phenyl-2H-benzimidazol-2-one1-phenyl-2,3-dihydro-1H-1,3-benzodiazol-2-oneDTXSID20163888RefChem:484249DTXCID2086379849-576-21-Phenyl-1H-benzo[d]imidazol-2(3H)-one3-phenyl-1H-benzimidazol-2-oneMFCD016588031-Phenylbenzimidazolin-2-one

名称をさらに表示

1,3-ジヒドロ-1-フェニル-2H-ベンゾイミダゾール-2-オン1-フェニル-1,3-ジヒドロ-2H-ベンゾイミダゾール-2-オン1-フェニル-1H-ベンゾイミダゾール-2(3H)-オン1-フェニル-2,3-ジヒドロ-1H-ベンゾイミダゾール-2-オン3-フェニル-1H-ベンゾイミダゾール-2(3H)-オン1-フェニル-2,3-ジヒドロ-1H-1,3-ベンゾジアゾール-2-オン1-Phenylbenzimidazol-2(3H)-One1-Phenyl-1H-benzimidazole-2(3H)-one1-phenyl-1,3-dihydro-benzoimidazol-3-one

1-phenyl-1,3-dihydro-benzoimidazol-2-one2-Benzimidazolinone, 1-phenyl-1-Phenylbenzimidazole deriv. 521-Phenylbenzimidazolon1-Phenyl-2,3-dihydro-1H-benzimidazole-2-one1-Phenyl-2-benzimidazolinonehydroxyphenyl 1h benzimidazoleSCHEMBL699273

データベース識別子

CAS: 14813-85-5
PubChem CID: 84657
DTXSID: DTXSID20163888
ChEMBL: CHEMBL150912
EC Number: 849-576-2
Nikkaji: J101.835C

物性

構造計算による物性

XLogP: 2.3
極性表面積: 32.3 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 273

物理化学的性質

融点: 201 · 201-202 °C
比重(密度): 1.264 · 1.264±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 11.61 · 11.61±0.30(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 2 reports by companies from 2 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.