5-メチル-1,10-フェナントロリン

5-Methyl-1,10-phenanthroline

HCID 72791CAS 3002-78-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc2cccnc2c2ncccc12
InChIKey: UJAQYOZROIFQHO-UHFFFAOYSA-N
分子式: C13H10N2
平均分子量: 194.23 g/mol
単同位体質量: 194.08439832

概要

RN given refers to parent cpd

名称と識別子

優先名称: 5-Methyl-1,10-phenanthroline
IUPAC: 5-methyl-1,10-phenanthroline
現地名: 5-メチル-1,10-フェナントロリン
英語名: 5-Methyl-1,10-phenanthroline
分子式: C13H10N2
分子量: 194.23

名称と別名

5-Methyl-1,10-phenanthroline3002-78-61,10-Phenanthroline, 5-methyl-DTXSID4062771RefChem:536779DTXCID0038120221-099-95-MethylphenanthrolineMFCD00004982CHEMBL98682NSC4272SCHEMBL371564

名称をさらに表示

5-メチル-1,10-フェナントロリン5-メチル-1,10-フェナントロリンn水和物(鉄比色定量用)5-メチル-1,10-フェナントロリン水和物5-メチル-1,10-フェナントロリン, 99%RMA-4265-methyl-10-phenanthroline5-Methyl-1,1-phenanthroline5-Methyl-1,10-phenanthroline 98%5-Methyl-1,10-phenanthrolin-2-ol5-METHYL-1,10-PHENANTHROLINE, 99+%5-Methyl-1,10-phenanthroline Hydrate

UJAQYOZROIFQHO-UHFFFAOYSA-5-methylpyridino[3,2-h]quinolineSMSSF-0625532NSC-4272BDBM50401345AKOS015899630AMS_CNC_ID-110962535CS-W004552

データベース識別子

CAS: 3002-78-6
PubChem CID: 72791
DTXSID: DTXSID4062771
ChEMBL: CHEMBL98682
EC Number: 221-099-9
Nikkaji: J150.535A

物性

構造計算による物性

XLogP: 2.8
極性表面積: 25.8 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 15
形式電荷: 0
複雑度: 229

実験および物理化学的性質

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

Physical DescriptionOff-white or pale yellow powder; [Alfa Aesar MSDS]

物理化学的性質

融点: 113 · 113-114 °C (lit.)
沸点: 320.68 °C · 320.68°C (rough estimate)
比重(密度): 1.1579 · 1.1579 (rough estimate)
屈折率: 1.5014 · 1.5014 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 50 mg/mL、透明～やや濁り、無色～黄色 · メタノール：可溶50mg/mL、透明～やや濁り、無色～黄色
外見: powder to crystal
酸解離定数(Pka): 4.89 · 4.89±0.10(Predicted)
色: White to Light yellow to Light orange
BRN: 143849 · 143849
InChI: 1S/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3
InChIKey: UJAQYOZROIFQHO-UHFFFAOYSA-N
SMILES: Cc1cc2cccnc2c3ncccc13
CAS データベース: 3002 · 3002-78-6(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,10-Phenanthroline, 5-methyl- (3002-78-6)

化学的性質

化学的特性LIGHT YELLOW TO BEIGE POWDER

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29339900
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 36/37/39-26-36/37
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 Information1,10-Phenanthroline, 5-methyl-: INACTIVE

応用分野

使用5-Methyl-1,10-phenanthroline was used in the determination of Cu(II) in duralmin alloy by capillary zone electrophoresis.

一般的な説明5-Methyl-1,10-phenanthroline forms iron(II)-phenanthroline complexes and their gas-phase stabilities has been investigated in an electrospray ionization mass spectrometer.