5-Nitro-1,10-phenanthroline (HCID 72790)

名称と識別子

優先名称: 5-Nitro-1,10-phenanthroline
IUPAC: 5-nitro-1,10-phenanthroline
現地名: 5-ニトロ-1,10-フェナントロリン
英語名: 5-Nitro-1,10-phenanthroline
分子式: C12H7N3O2
分子量: 225.2

名称と別名

5-Nitro-1,10-phenanthroline4199-88-61,10-Phenanthroline, 5-nitro-DTXSID7063346RefChem:410362DTXCID4040006224-097-6MFCD00004981NSC42635-Nitro-1, 10-diazaphenanthrene5-NPNSC 4263

名称をさらに表示

5-ニトロ-1,10-フェナントロリンニトロ-フェロイン5‐ニトロ‐1,10‐フェナントロリン5-Nitro-1TIMTEC-BB SBB0088505-nitro-10-phenanthroline5-Nitro-1,10-phenthroline5-Nitro-1,10-phenathroline5-Nitro-1,10-phenanthroline>

MLS0007365065-Nitro-1,10-diazaphenanthreneAKOS003368622PD15853010.14272/PDDBTWXLNJNICS-UHFFFAOYSA-N.15-nitropyridino[3,2-h]quinolineNitroferroinAMY23551

データベース識別子

CAS: 4199-88-6
PubChem CID: 72790
DTXSID: DTXSID7063346
ChEMBL: CHEMBL101815
ChEBI: CHEBI:201448
EC Number: 224-097-6
Nikkaji: J8.690H

物性

構造計算による物性

XLogP: 2.3
極性表面積: 71.6 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 17
形式電荷: 0
複雑度: 305

実験および物理化学的性質

Physical DescriptionLight yellow crystalline solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 202 · 202-204 °C(lit.)
沸点: 366.71 °C · 366.71°C (rough estimate)
比重(密度): 1.2844 · 1.2844 (rough estimate)
屈折率: 1.57 · 1.5700 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Alcohol,Benzene
酸解離定数(Pka): 1 · pK1:3.232(+1) (25°C)
外見: 結晶性
色: 黄色からオレンジ
由来生物: synthetic
水溶解度: 不溶性
BRN: 196245 · 196245
InChI: InChI=1S/C12H7N3O2/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12/h1-7H
InChIKey: PDDBTWXLNJNICS-UHFFFAOYSA-N
SMILES: N1C2C(=C([N+]([O-])=O)C=C3C=2N=CC=C3)C=CC=1
CAS データベース: 4199 · 4199-88-6(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,10-Phenanthroline, 5-nitro- (4199-88-6)

化学的性質

化学的特性Light yellow to yellow-brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 45 reports by companies from 5 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

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (97.8%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29339900
risk_code: 36/37/38-40
hazard_code: Xi,Xn
safety_code: 26-36-24/25-22
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 Information1,10-Phenanthroline, 5-nitro-: ACTIVE

応用分野

使用5-Nitro-1,10-phenanthroline complexes of iron find wide applications in redox titrations. It is used as a precursor for the synthesis of 5-amino-1,10-phenanthroline, 5-isothiocyanato-1,10-phenanthroline.

調製方法 · 1 件

純化方法Crystallise the phenanthroline from *benzene/pet ether, until anhydrous. It also crystallises from H2O with m 202o, and EtOAc with m 203o. Its pK2 5 varies from 3.20 to 2.69 with varying MeOH/H2O ratios from 0 to 0.95 moles/L, and from 3.20 to 1.95 in varying EtOH/H2O ratios from 0 to 0.94 moles/L [Ram et al. J Prakt Chem 319 719 1977]. It forms complexes with Cu2+, Zn2+, In2+, Fe2+ , Co2+, Ni2+ . [Beilstein 23 III/IV 1682, 23/8 V 425.]