네오쿠프로인

2,9-Dimethyl-1,10-phenanthroline

HCID 65237CAS 484-11-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccc2ccc3ccc(C)nc3c2n1
InChIKey
IYRGXJIJGHOCFS-UHFFFAOYSA-N
분자식
C14H12N2
평균 분자량
208.26 g/mol
단동위원소 질량
208.10004839

이름 및 식별자

우선 이름
2,9-Dimethyl-1,10-phenanthroline
IUPAC
2,9-dimethyl-1,10-phenanthroline
현지명
네오쿠프로인
영어명
Neocuproine
분자식
C14H12N2
분자량
208.26

이름 및 동의어

Neocuproine2,9-Dimethyl-1,10-phenanthroline484-11-7Neocuproin1,10-Phenanthroline, 2,9-dimethyl-2,9-DimethylphenanthrolineDMPHEN2,9-Dimethyl-o-phenanthroline8E7D2SH3BVDTXSID5060065NSC-4280VUF-7738
이름 더 보기
네오쿠프로인Mephen2,9-dimethyl-10-phenanthrolineVUF 7738Cuproin,neo
CHEBI:912223,6-dimethyl-4,5-phenanthrolineRefChem:165152DTXCID1040619207-601-9neo-CuproinNSC4280MFCD00004973

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3.3
극성 표면적
25.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
16

실험 및 물리화학적 성질

Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
159 · 159-164 °C
끓는 점
337.46 °C · 337.46°C (rough estimate)
밀도
1.1345 · 1.1345 (rough estimate)
굴절률
1.6152 · 1.6152 (estimate)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
0.1 g/mL, · 메탄올: 0.1 g/mL, 투명

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

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 2건

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 · 2건

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%)

규제 정보

Regulatory Information · 2건

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

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29339990
risk_code
36/37/38-20/21/22-22
hazard_code
Xi,Xn
safety_code
26-36/37/39-36-24/25

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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.

용도 및 제조

UsesUsed as a reagent in assays (blood glucose and spectrophotometric determination of copper); [Merck Index]
General Manufacturing Information1,10-Phenanthroline, 2,9-dimethyl-: ACTIVE
응용 분야 · 1건

용도Due 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.

상·하류 제품 정보

공급사50 곳

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]

추가 설명

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

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