化工社化工社化学情報印刷レポート · 研究参考用

HCID 84657作成日：2026年10月27日

1-フェニル-2,3-ジヒドロ-1H-ベンゾイミダゾール-2-オン

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)-One · 1-Phenyl-1H-benzimidazole-2(3H)-one

https://huagongshe.com/ja/chemical/84657

識別子と物理属性

CAS No.	14813-85-5
分子式	C13H10N2O
平均分子量	210.23 g/mol
単同位体質量	210.07931295 g/mol
SMILES	O=c1[nH]c2ccccc2n1-c1ccccc1
InChIKey	OLMPQQPQSTVRPB-UHFFFAOYSA-N
PubChem CID	84657
ChEMBL	CHEMBL150912
EC No.	849-576-2
DTXSID	DTXSID20163888
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

化学・物理的性質

XLogP	2.3
極性表面積	32.3
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
融点	201-202 °C
密度	1.264±0.06 g/cm3(Predicted)
貯蔵条件	Sealed in dry,Room Temperature
pKa（酸解離定数）	11.61±0.30(Predicted)

安全性と法規制

GHS 分類	WarningH302 (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 exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
危険有害性情報	コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

1-フェニル-2,3-ジヒドロ-1H-ベンゾイミダゾール-2-オン

識別子と物理属性

CAS No.

14813-85-5

分子式

C13H10N2O

平均分子量

210.23 g/mol

単同位体質量

210.07931295 g/mol

SMILES

O=c1[nH]c2ccccc2n1-c1ccccc1

InChIKey

OLMPQQPQSTVRPB-UHFFFAOYSA-N

PubChem CID

84657

ChEMBL

CHEMBL150912

EC No.

849-576-2

DTXSID

DTXSID20163888

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

XLogP

2.3

極性表面積

32.3

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

273

融点

201-202 °C

密度

1.264±0.06 g/cm3(Predicted)

貯蔵条件

Sealed in dry,Room Temperature

pKa（酸解離定数）

11.61±0.30(Predicted)

安全性と法規制

GHS 分類

WarningH302 (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 exposureRespiratory 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.

Hazard Classes and Categories

Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)

危険有害性情報

コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302