2,9-Dimethyl-1,10-phenanthroline (HCID 65237)

名称と識別子

優先名称: 2,9-Dimethyl-1,10-phenanthroline
IUPAC: 2,9-dimethyl-1,10-phenanthroline
現地名: ネオクプロイン0.5水和物
英語名: Neocuproine
分子式: C14H12N2
分子量: 208.26

名称と別名

Neocuproine2,9-Dimethyl-1,10-phenanthroline484-11-7Neocuproin1,10-Phenanthroline, 2,9-dimethyl-2,9-DimethylphenanthrolineDMPHEN2,9-Dimethyl-o-phenanthroline8E7D2SH3BVDTXSID5060065NSC-4280VUF-7738

名称をさらに表示

ネオクプロイン0.5水和物ネオクプロイン2,9-ジメチル-1,10-フェナントロリンクプロイン,ネオ2,9-ジメチル-1,10-フェナントロリン0.5水和物(ネオクプロイン 0.5水和物)ネオクプロイン 0.5水和物Mephen2,9-dimethyl-10-phenanthrolineVUF 7738Cuproin,neo

CHEBI:912223,6-dimethyl-4,5-phenanthrolineRefChem:165152DTXCID1040619207-601-9neo-CuproinNSC4280MFCD00004973

データベース識別子

CAS: 484-11-7、7296-20-0
PubChem CID: 65237
DTXSID: DTXSID5060065
ChEMBL: CHEMBL375781
ChEBI: CHEBI:91222
UNII: 8E7D2SH3BV
EC Number: 207-601-9、230-732-8
Nikkaji: J5.993E

物性

構造計算による物性

XLogP: 3.3
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: 16
形式電荷: 0
複雑度: 227

実験および物理化学的性質

Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 159 · 159-164 °C
沸点: 337.46 °C · 337.46°C (rough estimate)
比重(密度): 1.1345 · 1.1345 (rough estimate)
屈折率: 1.6152 · 1.6152 (estimate)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 0.1 g/mL、透明 · メタノール: 0.1 g/mL、透明
外見: 結晶性
酸解離定数(Pka): 6.01 · 6.01±0.30(Predicted)
色: 白からベージュ
水溶解度: わずかに溶ける
Merck: 6449 · 6449
InChI: 1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
InChIKey: IYRGXJIJGHOCFS-UHFFFAOYSA-N
SMILES: Cc1ccc2ccc3ccc(C)nc3c2n1
CAS データベース: 484 · 484-11-7(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1,10-Phenanthroline, 2,9-dimethyl-(484-11-7)
EPAの化学物質情報: 1 · 1,10-Phenanthroline, 2,9-dimethyl- (484-11-7)

化学的性質

化学的特性Neocuproine is a off-white to very pale yellow crystalline powder, in the presence of reducing agents it reacts with copper to give a copper(I) complex of composition MA2 and of tetrahedral symmetry.

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (93.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): 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 47 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 47 reports by companies.；There are 8 notifications provided by 46 of 47 reports by companies with hazard statement code(s).；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

Regulatory Information · 2 件

Chemical: 1,10-Phenanthroline, 2,9-dimethyl-

1,10-Phenanthroline, 2,9-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

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

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (80%)

Skin Irrit. 2 (97.9%)；Eye Irrit. 2A (93.6%)；STOT SE 3 (95.7%)

法規制情報

Regulatory Information · 2 件

Chemical: 1,10-Phenanthroline, 2,9-dimethyl-

1,10-Phenanthroline, 2,9-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29339990
risk_code: 36/37/38-20/21/22-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Substances that inhibit or prevent the proliferation of NEOPLASMS.

Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.

用途と製造

UsesUsed as a reagent in assays (blood glucose and spectrophotometric determination of copper); [Merck Index]

General Manufacturing Information1,10-Phenanthroline, 2,9-dimethyl-: ACTIVE

応用分野 · 1 件

使用Due to the steric hindrance of the methyl groups attached to the carbon atoms adjacent to the nitrogen donor atoms of phenanthroline, the reagent does not give the low spin vivid red complex characteristic of phenanthroline derivatives with iron(II). However, in the presence of reducing agents it reacts with copper to give a copper(I) complex of composition MA2 and of tetrahedral symmetry. This chelate is insoluble in water and can be extracted by chloroform in which the absorption maximum of the complex appears at 457 nm. In this way the concentration of the complex can be measured. The method is suitable for the determination of copper in iron, manganese and vanadium ores even in the presence of aluminium, germanium, titanium and silicon. Neocuproine is today considered one of the most selective reagents. Unfortunately, it is rather expensive. 2,3-bis-(2-pyridyl)quinoxaline, prepared by Belcher et al. by condensation of o-diketone, 2,2'-dipyridyl and 0-phenylenediamine(44) contains the functional grouping characteristic of cuproine; it is quite suitable for the determination of copper and it is cheap. Starting with various substituted o-phenylene-diamines Belcher synthesized 25 different quinoxaline derivatives, of which 2,3-bis-[2-(-methyl)-pyridyl)]quinoxaline proved to be identical with neocuproine as regards analytical selectivity. Besides copper, titanium(III) is the only metal ion which gives a colour reaction with the reagent. However, the coloured titanium(III) complex is formed only at lower pH and hence it does not interfere with the determination of copper. The copper complex of the reagent can be extracted quantitatively with isopentyl alcohol usually as a perchlorate ion pair.

調製方法

純化方法Purifiy it as the hemihydrate by crystallisation from water and as the anhydrous base from *benzene. [Beilstein 23/8 V 527.]

上流・下流製品情報

上流原料

Copper(1+)bis(2,9-diMethyl- 1,10-phenanthroline Ethenamine, 2,2'-(2,3-dinitro-1,4-phenylene)bis[N,N-dimethyl-, (E,E)- (9CI)1,4-ジメチル-2,3-ジニトロベンゼン 8-アミノ-2-メチルキノリンエチルビニルエーテル

下流製品

2,2'-ビピリジル 1,10-フェナントロリン-2,9-ジカルボン酸 1,10-Phenanthroline, 2,9-bis(bromomethyl)-

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

河北凯诺新材料科技有限公司15932779957 or 18131036894 15932779957 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

補足説明

定義ChEBI: A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two methyl substituents at positions 2 and 9.

ネオクプロイン0.5水和物

基本情報