1-Phenylimidazole (HCID 81595)

名称と識別子

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

名称と別名

1-Phenylimidazole7164-98-9N-PhenylimidazoleDTXSID10221885RefChem:435716DTXCID40144376627-543-11-Phenyl-1H-imidazolePhenylimidazole1H-Imidazole, 1-phenyl-MFCD00041204CHEMBL275066

名称をさらに表示

1-フェニル-1H-イミダゾール1-(フェニル)-1H-イミダゾール1-フェニルイミダゾール1-フェニルイミダゾール, 99%1-Phenylimidazole>1-Phenylimidazole 97%1-Phenylimidazole,97%1-Phenylimidazole ,98%1-Phenyl-1H-imidazole 98%(1H-Imidazol-1-yl)benzene

1H-Imidazole, phenyl-Imidazole, 1-phenyl-N-(phenyl)imidazole1-Phenylimidazole, 97%SCHEMBL4511-Phenyl-1H-imidazole #SCHEMBL63013MLS001074869

データベース識別子

CAS: 7164-98-9
PubChem CID: 81595
DTXSID: DTXSID10221885
ChEMBL: CHEMBL275066
ChEBI: CHEBI:232094
EC Number: 627-543-1
Nikkaji: J271.230J

物性

構造計算による物性

XLogP: 1.7
極性表面積: 17.8 Å²
水素結合供与体数: 0
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

実験および物理化学的性質

Solubility19.7 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点: 13 °C · 13 °C (lit.)
沸点: 142 °C/15 · 142 °C/15 mmHg (lit.)
比重(密度): 1.14 g/mL · 1.14 g/mL at 25 °C (lit.)
屈折率: 1.599 · 1.599-1.601
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 5.45 · 5.45±0.10(Predicted)
外見: 液体
色: クリアライトイエロー～イエロー
比重: 1.14 · 1.140
水溶解度: 水にわずかに溶ける。
BRN: 112356 · 112356
InChI: 1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
InChIKey: SEULWJSKCVACTH-UHFFFAOYSA-N
SMILES: c1ccc(cc1)-n2ccnc2
CAS データベース: 7164 · 7164-98-9(CAS DataBase Reference)
NISTの化学物質情報: 1 H-Imidazole, · 1H-Imidazole, 1-phenyl-(7164-98-9)

化学的性質

化学的特性clear light yellow to yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (87%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (87%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (89.1%): 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, 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 46 reports by companies from 6 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 (87%)；Acute Tox. 4 (87%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (87%)；STOT SE 3 (89.1%)

安全データ

wgk: 3
hs_code: 29332900
risk_code: 20/21/22-36/37/38
消防法: 危-4-3-III
hazard_code: Xn,Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用1-Phenylimidazole is a suitable reagent used to investigate its effect on the citrulline formation by bovine brain nitric-oxide synthase.

一般的な説明1-Phenylimidazole is an imidazole derivative. It induces 7-ethoxyresorufin-O-deethylase (EROD) activity in rainbow trout (Oncorhynchus mykiss) hepatocytes. The S(1)→S(0) transition of 1-phenylimidazole has been investigated in a supersonic jet expansion by resonant two-photon ionization. 1-Phenylimidazole is reported to be inhibitor of calmodulin-dependent nitric-oxide synthase from bovine brain and GHs pituitary cells.