Phenoxazine (HCID 67278)

概要

10H-phenoxazine is a member of the class of phenoxazines that is morpholine which is ortho-fused to two benzene rings at positions 2-3 and 5-6. It has a role as a ferroptosis inhibitor and a radical scavenger.

名称と識別子

優先名称: Phenoxazine
IUPAC: 10H-phenoxazine
現地名: フェノキサジン
英語名: Phenoxazine
分子式: C12H9NO
分子量: 183.21

名称と別名

Phenoxazine10H-Phenoxazine135-67-1PhenazoxineC2ZWT499SGNSC-72990DTXSID10159199CHEBI:94057RefChem:172909DTXCID4081690CHEBI:25970205-210-8

名称をさらに表示

フェノキサジン10H-フェノキサジン2,3,5,6-DIBENZO-1,4-OXAZINE1H-PhenoxazinePhenoxazine>Phenoxazine 97%Phenoxazine,97%RARECHEM FH 2C 0S92Phenoxazine, 97% 5GR

MFCD00005014UNII-C2ZWT499SGEINECS 205-210-8NSC 729905,6-Dibenzo-1,4-oxazine5,4-oxazinePHENOTAZINEPHENOXAZINE [MI]

データベース識別子

CAS: 135-67-1
PubChem CID: 67278
DTXSID: DTXSID10159199
ChEMBL: CHEMBL276850
ChEBI: CHEBI:94057
UNII: C2ZWT499SG
EC Number: 205-210-8
Nikkaji: J1.512A

物性

構造計算による物性

XLogP: 3.9
極性表面積: 21.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 186

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

LogP3.85

物理化学的性質

融点: 156 · 156-159 °C (lit.)
沸点: 316.88 °C · 316.88°C (rough estimate)
比重(密度): 1.1261 · 1.1261 (rough estimate)
屈折率: 1.588 · 1.5880 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: ベンゼン: 易溶性(lit.)
外見: 微結晶性粉末
酸解離定数(Pka): 1.8 · 1.80±0.20(Predicted)
色: 灰色から緑灰色
水溶解度: メタノールに可溶。水に不溶。
Merck: 14 · 14,7253
BRN: 143234 · 143234
InChI: 1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
InChIKey: TZMSYXZUNZXBOL-UHFFFAOYSA-N
SMILES: N1c2ccccc2Oc3ccccc13
CAS データベース: 135 · 135-67-1(CAS DataBase Reference)
NISTの化学物質情報: Phenoxazine(135-67-1)

化学的性質

化学的特性grey to green-grey fine crystalline powder

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (38 of 38) of all reports.

Not Classified

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesNot Classified

安全データ

wgk: 3
hs_code: 29349990
safety_code: 22-24/25-25-24
ストレージクラス: 13 - Non Combustible Solids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用Phenoxazine is a tricyclic 2′deoxycytidine analog that has been used to improve stacking interactions between heterocycles of oligonucleotide/RNA hybrids and to enhance cellular uptake.

一般的な説明Phenoxazine dyes, including several Nile blue analogs, are known to localize selectively in animal tumors.

調製方法 · 1 件

純化方法Crystallise phenoxazine from EtOH and sublime it in vacuo. If too impure then extract it in a Soxhlet extractor using toluene. Evaporate the solvent and dissolve the residue (ca 100g) in *C6H6 (1L), CARCINOGEN (use an efficient fume cupboard) and chromatograph it through an Al2O3 column (50 x 450 mm) using *C6H6. The eluent (ca 3L) is evaporated to ca 150mL and cooled when ca 103g of phenoxazine m 149-153o is obtained. Sublimation yields platelets m 158-159o. It forms a green picrate m 141.5-142o. [Gilman & Moore J Am Chem Soc 79 3485 1957, Müller et al. J Org Chem 24 37 1959, Beilstein 27 I 223, 27 III/IV 1209.]