기본 정보
- CAS
21679-31-2- 표준 SMILES
CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Cr+3]- InChIKey
JWORPXLMBPOPPU-LNTINUHCSA-K- 분자식
- C15H21CrO6
- 평균 분자량
- 349.32 g/mol
- 단동위원소 질량
- 349.074318
개요
Chromium(III) acetylacetonate is a coordination complex of chromium. It is used in NMR spectroscopy as a relaxation agent. Chromium is a chemical element which has the symbol Cr and atomic number 24. It is found naturally occuring in rocks, animals, plants, and soil, and is usually mined as chromite ore. Chromium is most toxic in its +6 oxidation state (chromium(VI)) due to its greater ability to enter cells and higher redox potential. Trivalent chromium (chromium(III)) however, is biologically necessary for sugar and lipid metabolism in humans. (L17, L520)
이름 및 식별자
- 우선 이름
- chromium(III) acetylacetonate
- IUPAC
- chromium(3+);tris((Z)-4-oxopent-2-en-2-olate)
- 현지명
- 크롬 2,4-펜타디온
- 영어명
- Chromium(III) acetylacetonate
- 분자식
- C15H21CrO6
- 분자량
- 349.32
이름 및 동의어
Chromium(III) acetylacetonateChromium triacetylacetonateChromium tris(acetylacetonate)RefChem:1081538(3Z)-4-((bis((((2Z)-4-oxopent-2-en-2-yl)oxy))chromio)oxy)pent-3-en-2-oneChromium acetylacetonateTris(acetylacetonato)chromium(III)Chromic acetylacetonate21679-31-2DTXSID0051863C15H21CrO6Chromium (III) acetylacetonate
이름 더 보기
크롬2,4-펜타디온크롬2,4-펜타디온(CHROMIUM2,4-PENTADIONE)Cr(acac)3CHROMIUM(III) AA(CH3COCHCOCH3)3CrChromium(III) acetylAcetylacetone calciumChromiumpentanedionateAcetyl acetone chromium
Chromium(III) 2,4-pentanedionateSCHEMBL14864DTXCID8030421Tox21_303935AKOS025290372AKOS032949848NCGC00357174-01CAS-21679-31-2
데이터베이스 식별자
- CAS
21679-31-2
물성
구조 계산 물성
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 90.4
실험 및 물리화학적 성질
Chemical ClassesMetals -> Chromium Compounds, Inorganic
Physical DescriptionPurple or red-violet solid; [Hawley] Insoluble in water; [MSDSonline]
물리화학적 성질
- 녹는점
- 210 °C · 210 °C(lit.)
- 끓는 점
- 340 °C · 340 °C(lit.)
- 밀도
- 1 · 1,35 g/cm3
- 증기압
- 0 Pa · 0Pa at 20℃
- 인화점
- 200 °C · >200°C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 11 g/L · 11g/L
- 물리적 상태
- 결정질 분말, 결정 및/또는 덩어리
- Specific Gravity
- 1.35 · 1.35
- 색상
- 보라색에서 적갈색까지
- 수소이온지수(pH)
- 6 · 6 (1g/l, H2O, 20℃)
- 수용성
- 11 g/L · 11 g/L (20 ºC)
- BRN
- 4148971 · 4148971
- InChI
- 1S/3C5H8O2.Cr/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;
- InChIKey
- JWORPXLMBPOPPU-LNTINUHCSA-K
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 4.6% (3 of 65) of reports.
Warning
H315 (95.4%): Causes skin irritation [Warning Skin corrosion/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 65 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Chromium, tris(2,4-pentanedionato-O,O')-, (OC-6-11)-
REACH registered substance: Chromium(III) 4-oxopent-2-ene-2-olate (EC: 244-526-0)
Chromium, tris(2,4-pentanedionato-.kappa.O,.kappa.O')-, (OC-6-11)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
The trivalent form of Cr is 500-1000 times less toxic than the hexavalent form. Organic Cr-containing complexes of toxicological importance have not been reported. [Nordberg, p. 718] CrIII compounds do not cause chrome ulcerations but may cause allergic dermatitis in workers with prior sensitization to CrVI compounds. [ILO Encyclo] CrIII is an essential trace mineral in the human diet. [ATSDR Case Studies] Stable under recommended storage conditions. May be harmful after ingestion, inhalation, or skin contact; May damage eyes; [MSDSonline] See Chromium.
Hazard Classes and CategoriesSkin Irrit. 2 (95.4%)
안전 및 보호
Threshold Limit Values (TLV)0.003 [mg/m3], as Cr(III), inhalable particulate matter
화학 및 산업
약리 정보
Metabolism/Metabolites
Chromium is absorbed from oral, inhalation, or dermal exposure and distributes to nearly all tissues, with the highest concentrations found in kidney and liver. Bone is also a major storage site and may contribute to long-term retention. Hexavalent chromium's similarity to sulfate and chromate allow it to be transported into cells via sulfate transport mechanisms. Inside the cell, hexavalent chromium is reduced first to pentavalent chromium, then to trivalent chromium by many substances including ascorbate, glutathione, and nicotinamide adenine dinucleotide. Chromium is almost entirely excreted with the urine. (A12, L16)
용도 및 제조
Uses
Reduction of detonation of nitromethane; [Hawley]
Chromium(III) acetylacetonate is used in NMR spectroscopy as a relaxation agent. (L520)
General Manufacturing InformationChromium, tris(2,4-pentanedionato-.kappa.O2,.kappa.O4)-, (OC-6-11)-: ACTIVE
응용 분야
용도Chromium(III) acetylacetonate may be used as an active site in the formation of redox systems for the fabrication of flow batteries. It may also be used as a precursor for chromium nitride based metallic coatings.
일반 설명Chromium(III) acetylacetonate is an acidopentamminechromium (111) salt, which is a crystalline material that can be prepared by treatment of precipitated hydrous chromium(III) oxide with acetylacetone.
공급사100 곳
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