2-Phenylimidazole (HCID 69591)

名称と識別子

優先名称: 2-Phenylimidazole
IUPAC: 2-phenyl-1H-imidazole
現地名: 2-フェニルイミダゾール
英語名: 2-Phenylimidazole
分子式: C9H8N2
分子量: 144.17

名称と別名

2-Phenylimidazole2-Phenyl-1H-imidazole670-96-21H-Imidazole, 2-phenyl-Imidazole, 2-phenyl-CUREZOL 2PZ7R2590HM4LNSC-255226DTXSID7060968RefChem:89086DTXCID6044856211-581-7

名称をさらに表示

2-フェニルイミダゾール2-(フェニル)-1H-イミダゾールクレゾール2PZ2-フェニル-1H-イミダゾール2‐フェニルイミダゾール2-フェニルイミダゾール, 98+%2PZ2PI2-Phenylimidzole2-Phenylimidazol2-Pheny1 imidazoleTIMTEC-BB SBB004131

MFCD00005186CHEMBL141892-phenyl-1h-imidazol2-Phenyl imidazolephenyl imidazole2-phenyl-imidazolePIY2-Phenylimidazole, 98%

データベース識別子

CAS: 670-96-2
PubChem CID: 69591
DTXSID: DTXSID7060968
ChEMBL: CHEMBL14189
UNII: 7R2590HM4L
EC Number: 211-581-7
Nikkaji: J68.948C

物性

構造計算による物性

XLogP: 1.9
極性表面積: 28.7 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: 11
形式電荷: 0
複雑度: 119

物理化学的性質

融点: 142 · 142-148 °C (lit.)
沸点: 340 °C · 340 °C
比重(密度): 0.6 g/cm3 · 0.6 g/cm3
蒸気圧: 0.009 Pa · 0.009Pa at 20℃
屈折率: 1.6025 · 1.6025 (estimate)
闪点: 200 °C · 200 °C
貯蔵温度: Sealed in dry,Room Temperature
溶解性: メタノールへの溶解度（ほぼ透明）。
外見: 粉末、粒状または結晶性粉末
酸解離定数(Pka): 13 · 13.00±0.10(Predicted)
色: ライトイエローからベージュ
BRN: 114011 · 114011
InChI: 1S/C9H8N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H,(H,10,11)
InChIKey: ZCUJYXPAKHMBAZ-UHFFFAOYSA-N
SMILES: c1ccc(cc1)-c2ncc[nH]2
LogP: 1.29 at · 1.29 at 25℃ and pH7.5
CAS データベース: 670 · 670-96-2(CAS DataBase Reference)
EPAの化学物質情報: 1 H-Imidazole, · 1H-Imidazole, 2-phenyl- (670-96-2)

化学的性質

化学的特性colorless to beige chunks or granular powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.2% (5 of 227) of reports.

Warning

H302 (70.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, 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 227 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1H-Imidazole, 2-phenyl-

Status: Active Update: 08-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23313

2-Phenylimidazole: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (70.9%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29332990
risk_code: 36/37/38-21/22
化審法: (5)-410
hazard_code: Xi,Xn
hazard_note: Harmful
safety_code: 26-36-36/37
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information1H-Imidazole, 2-phenyl-: ACTIVE

応用分野 · 1 件

使用2-Phenylimidazole (2-PI) is used to prepare complex compounds with ruthenium (III) and also as an intermediate for agrochemical, pharmaceutical and specialty products. It also finds its application as a curing agent for epoxy resins and polyurethane.