1-Methyl-2-phenylindole (HCID 77095)

名称と識別子

優先名称: 1-Methyl-2-phenylindole
IUPAC: 1-methyl-2-phenylindole
現地名: 1-メチル-2-フェニルインドール
英語名: 1-Methyl-2-phenylindole
分子式: C15H13N
分子量: 207.27

名称と別名

1-Methyl-2-phenylindole3558-24-51H-Indole, 1-methyl-2-phenyl-2-Phenyl-N-methylindoleN-Methyl-2-phenylindoleIndole, 1-methyl-2-phenyl-IE3UB978IADTXSID5063073NSC-63793RefChem:830402DTXCID1039054222-618-1

名称をさらに表示

1-メチル-2-フェニルインドール2-フェニル-1-メチル-1H-インドール1-メチル-2-フェニル-1H-インドール1-メチル-2-フェニルインドル1メチル2フェニルインド-ル1-Methyl-2-Phenylindol1-Methyl-2-phenylindole>1-methyl-2-phenyl-1h-indol2-Phenyl-1-methyl-1H-indole

1-Methyl-2-phenyl-1H-indoleMFCD00022892NSC 637931-methyl-2-phenyl-indoleUNII-IE3UB978IA1-methyl-2-phenyl-1H-indolSTK202660AKOS001426229

データベース識別子

CAS: 3558-24-5
PubChem CID: 77095
DTXSID: DTXSID5063073
ChEMBL: CHEMBL1545735
UNII: IE3UB978IA
EC Number: 222-618-1
Nikkaji: J151.179C

物性

構造計算による物性

XLogP: 4.1
極性表面積: 4.9 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 232

実験および物理化学的性質

Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点: 98 · 98-100 °C (lit.)
沸点: 336.3 °C · 336.3°C (rough estimate)
比重(密度): 1.088 · 1.0880 (rough estimate)
屈折率: 1.572 · 1.5720 (estimate)
貯蔵温度: 2 · 2-8°C
外見: powder to crystal
色: White to Light yellow
BRN: 148770 · 148770
InChI: InChI=1S/C15H13N/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKey: SFWZZSXCWQTORH-UHFFFAOYSA-N
SMILES: N1(C)C2=C(C=CC=C2)C=C1C1=CC=CC=C1
CAS データベース: 3558 · 3558-24-5(CAS DataBase Reference)
EPAの化学物質情報: 1 H-Indole, · 1H-Indole, 1-methyl-2-phenyl- (3558-24-5)

化学的性質

化学的特性WHITE TO LIGHT GREEN-TAN CRYSTALS OR CRYST. POWDER

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information1H-Indole, 1-methyl-2-phenyl-: ACTIVE

応用分野 · 2 件

使用Reactant for preparation of: Cyano indolesDifluorohydroxy indolesReactant for:Carboxylation of indolesAllylation of indolesFormylation of indolesNitrosylation of indoles

一般的な説明Reaction of 1-methyl-2-phenylindole with nitrogen dioxide or with nitrous acid (NaNO2-CH3COOH) in benzene has been studied. 1-Methyl-2-phenylindole is reported to react with malondialdehyde (MDA) and 4-hydroxyalkenals to afford a stable chromophore with intense maximal absorbance at 586nm.