기본 정보
- CAS
1733-12-6- 표준 SMILES
Cc1cc(C2(c3ccc(O)c(C)c3)OS(=O)(=O)c3ccccc32)ccc1O- InChIKey
OBRMNDMBJQTZHV-UHFFFAOYSA-N- 분자식
- C21H18O5S
- 평균 분자량
- 382.4 g/mol
- 단동위원소 질량
- 382.08749468
개요
Cresol red is a member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxy-5-methylphenyl groups. It has a role as a dye, an acid-base indicator and a two-colour indicator. It is a polyphenol, a 2,1-benzoxathiole, a sultone and an arenesulfonate ester.
이름 및 식별자
- 우선 이름
- Cresol Red
- IUPAC
- 4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-methylphenol
- 현지명
- 크레솔레드
- 영어명
- Cresol Red
- 분자식
- C21H18O5S
- 분자량
- 382.43
이름 및 동의어
Cresol red1733-12-6o-Cresolsulfonphthaleino-Cresol RedCresolsulfophthaleino-CresolsulfonephthaleinPhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-3',3''-DimethylphenolsulfonephthaleinNSC 7224NSC-7224839K2R4B8KDTXSID8061929
이름 더 보기
4,4$$@@-(3H-2,1-벤족사티올-3-일리덴)디-O-크레솔S,S-디산화물O-크레솔,4,4$$@@-(3H-2,1-벤족사티올-3-일리덴)디-,S,S-디산화물O-크레솔술폰프탈레인O-톨루엔술폰산,알파-히드록시-알파,알파-비스(4-히드록시-M-톨릴)-,감마-술톤4,4$$@@-(3H-2,1-벤족사티올-3-일리덴)비스(2-메틸페놀)S,S-디산화물(4,4$$@@-O-크레솔레드알파-히드록시-알파,알파-비스(4-히드록시-M-톨릴)-O-톨루엔술폰산감마-술톤크레솔레드페놀,4,4$$@@-(3H-2,1-벤족사티올-3-일리덴)비스(2-메틸-,S,S-디산화물(PHENOL,4,4$$@@-(3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS4,4'-(3H-2,1-벤족사티올-3-일리덴)디-O-크레솔S,S-디산화물CRBROMCRESOL PURPLECRGFcresolreBETZ 0419Cvesol red
CHEBI:86218Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-methyl-RefChem:579417DTXCID5035531217-064-23,3-bis(4-hydroxy-3-methylphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxideCresolRedCresol red indicator
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 92.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 615
실험 및 물리화학적 성질
Chemical ClassesDyes -> Indicator Dyes
Physical DescriptionReddish-brown solid; [Merck Index] Reddish-brown or green odorless solid; [CHEMINFO] Crystalline solid; [MSDSonline]
물리화학적 성질
- 녹는점
- 290 °C · 290 °C
- 끓는 점
- 479.59 °C · 479.59°C (rough estimate)
- 밀도
- 0.998 g/cm3 · 0.998 g/cm3
- 굴절률
- 1.53 · 1.5300 (estimate)
- 저장 조건
- 5 °C · Store at +5°C to +30°C.
- 용해도
- 용해도 물에 거의 용해되지 않음; 에탄올에 용해됨
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 1 · 1.0(at 25℃)
- 색상
- 짙은 녹색 또는 갈색-빨간색
- 수소이온지수(pH)
- 7.2 · 7.2~8.8
- 수용성
- 녹는
- Merck
- 14 · 14,2578
- BRN
- 343399 · 343399
- 주요 응용
- 디스플레이 장치, 광학 센서, 연소 가스 감지 시스템, 잉크, 수정액, 기저귀, 치약, 신선한 쌀과 묵은 쌀 감별, 식품 보관, 투석액 내 포도당 측정, 미생물 대사 활동 모니터링, 세균 감염 감지, 향정신성 약물, 치과용 인상재
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 6.5% (3 of 46) of reports.
Warning
H315 (91.3%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-, S,S-dioxide
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (91.3%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN1170 - class 3 - PG 3 - Ethanol, solution
- 독성
- A potent lacrimator which is chemically stable and retains its irritancy in water and so can be used in liquid jets in personnel control. In addition to lacrimation, it causes eye pain, blepharospasm, eyelid swelling, irritation of the conjunctiva, a rise in intraocular pressure, and erythema of the skin. Because it can be used in water, its use is less affected by changes in climatic conditions. It is a more potent lacrimator than CS but it is less potent in lethality than CS.
- HS 번호
- 29349990
- risk_code
- 36/37/38-20/21/22-11
화학 및 산업
용도 및 제조
UsesUsed as acid-base indicator; [Merck Index] Color changes to red-yellow (pH 0.5-2.5) and orange-purple (pH 6.5-8.5); [Ullmann]
General Manufacturing InformationPhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-: ACTIVE
응용 분야
용도Cresol red is commonly used with lead acetate for the detection of urease after PAGE. It is also used as an indicator with the following transition intervals: pH 1.8 (orange) to pH 2.0 (yellow); pH 7.0 (yellow) to pH 8.8 (violet). Cresol Red is used as a tracking dye in DNA, RNA (agarose) and protein (polyacrylamide) electrophoresis. In agarose, Cresol Red runs with an apparent molecular size of approx. 125 bp DNA. Cresol Red does not inhibit Taq polymerase.
상·하류 제품 정보
상류 원료
공급사100 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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