기본 정보
- CAS
1611-35-4- 표준 SMILES
Cc1cc(C2(c3cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c3)OS(=O)(=O)c3ccccc32)cc(CN(CC(=O)O)CC(=O)O)c1O- InChIKey
ORZHVTYKPFFVMG-UHFFFAOYSA-N- 분자식
- C31H32N2O13S
- 평균 분자량
- 672.7 g/mol
- 단동위원소 질량
- 672.16251025
개요
carboxylate anion which exhibits characteristic visible spectrum when attached to a metal
이름 및 식별자
- 우선 이름
- Xylenol Orange
- IUPAC
- 2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
- 현지명
- 자이레놀 오렌지
- 영어명
- XYLENOL ORANGE
- 분자식
- C31H32N2O13S
- 분자량
- 672.66
이름 및 동의어
Xylenol orangem-Cresolphthalexon So-Cresolphthalexon Scresol phthalexon sUNII-S2VDY878QDS2VDY878QDS,SdioxideNSC-324982EINECS 216-553-8NSC 324982XYLENOL ORANGE [MI]Glycine, N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-
이름 더 보기
자이레놀오렌지크실레놀오렌지,나트륨염자일렌올오렌지자일레놀오렌지XDXOXORXDHXDHAXAN1Cresol Red DAHemixylenol orange
DTXSID10618193,3'-Bis(N,N-di-(carboxymethyl)aminomethyl)cresolsulfonephthaleinAcetic acid, (3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-m-phenylene)methylenenitrilo))tetra-, S,S-dioxideGlycine, N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, S,S-dioxidePHENOLSULFONEPHTHALEIN, 3',3''-BIS((BIS(CARBOXYMETHYL)AMINO)METHYL)-5',5''-DIMETHYL-ACETIC ACID, ((.ALPHA.-HYDROXY-O-SULFOBENZYLIDENE)BIS((6-HYDROXY-5-METHYL-M-PHENYLENE)METHYLENENITRILO))TETRA-, .GAMMA.-SULTONEGlycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-N,N'-(3H-2,1-Benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxy methyl)glycine) S,S-dioxide
물성
구조 계산 물성
- XLogP
- -2.8
- 극성 표면적
- 248 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,170
실험 및 물리화학적 성질
Chemical ClassesDyes -> Indicator Dyes
물리화학적 성질
- 녹는점
- 72 · 72-76 °C(lit.)
- 끓는 점
- 895.1 · 895.1±65.0 °C(Predicted)
- 밀도
- 1.564 · 1.564±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 용해도 물, 에탄올에 용해됨
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 2.6 · 2.6, 6.4, 6.5, 10.5, 12.3(at 25℃)
- 색상
- 갈색
- 생물학적 소스
- rabbit
- 주요 응용
- 태양 전지, 화장품, 알루미늄, 니켈, 비스무트, 탈륨, 납, 아연, 팔라듐, 수은, 단백질, 지질 측정
- EPA
- Glycine, N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)- (1611-35-4)
화학적 성질
Red solid
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 66.7% (2 of 3) of all reports.
Warning
H315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: Glycine, N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, S,S-dioxide
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29349990
- risk_code
- 22-41-43
- hazard_code
- Xn
- safety_code
- 26-39-24/25
- 기존화학 물질
- KE-02747
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
용도 및 제조
Uses
Metal indicators are organic compounds that form specifically colored metal ion complexes in aqueous media. These dye reactions can be employed for detection of the equivalence point in volumetry (complexometry), as well as for concentration determinations in colorimetry or photometry. [Ullmann] Xylenol orange is used for the complexometric determination of Bi, Ca, Cd, Co, Cu, Fe, Hg, In, lanthanides, Mg, Mn, Pb, Sc, Th, Tl, U, V, Y, Zn and Zr. It is used for the photometric determination of Ag, Bi, Cd, Cr, Fe, Ga, Hg, In, La, lanthanides, Mn, Mo, Nb, Ni, Pb, Sc, Sn, Th, Ti, Tl, U, V, Y, Zn, and Zr. [Ullmann]
General Manufacturing InformationGlycine, N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-: ACTIVE
응용 분야
용도Xylenol Orange is used in method for detecting main content of tungsten oxide.
공급사100 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
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