네오쿠프로인

네오쿠프로인 · 2,9-DIMETHYL-1,10-PHENANTHROLINE · DMPHEN · Mephen · 2,9-Dimethylphenanthroline · 2,9-dimethyl-10-phenanthroline · 2,9-Dimethyl-o-phenanthroline · VUF 7738

https://huagongshe.com/ko/chemical/65237

식별자 및 물리적 특성

CAS No.	484-11-7
분자식	C14H12N2
평균 분자량	208.26 g/mol
단동위원소 질량	208.10004839 g/mol
SMILES	Cc1ccc2ccc3ccc(C)nc3c2n1
InChIKey	IYRGXJIJGHOCFS-UHFFFAOYSA-N
PubChem CID	65237
ChEMBL	CHEMBL375781
ChEBI	CHEBI:91222
EC No.	207-601-9
DTXSID	DTXSID5060065
현지명	네오쿠프로인

화학 및 물리적 성질

XLogP	3.3
극성 표면적	25.8
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	16
형식 전하	0
복잡도	227
Physical Description	Beige crystalline solid[Sigma-Aldrich MSDS]
녹는점	159-164 °C
끓는 점	337.46°C (rough estimate)
밀도	1.1345 (rough estimate)
굴절률	1.6152 (estimate)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	메탄올: 0.1 g/mL, 투명
물리적 상태	수정 같은
pKa(산도 계수)	6.01±0.30(Predicted)
색상	흰색에서 베이지색
용해도	약간 용해됨
Merck	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
NIST	1,10-Phenanthroline, 2,9-dimethyl-(484-11-7)
EPA	1,10-Phenanthroline, 2,9-dimethyl- (484-11-7)

화학적 성질

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.

안전 및 규제

위험 표시
GHS 분류	This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.WarningH315 (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 exposureRespiratory 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.
규제 정보	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
유해성 요약	A skin and strong eye irritant[Sigma-Aldrich MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and Categories	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%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29339990
위험 문구(R)	36/37/38-20/21/22-22

용도

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.