Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)phenolate) S,S-dioxide
기본 정보
- CAS
62625-21-2- 표준 SMILES
Cc1cc([O-])c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OS(=O)(=O)c2ccccc21.[Na+]- InChIKey
BAVBEHWEOJMHDS-UHFFFAOYSA-M- 분자식
- C27H29NaO5S
- 평균 분자량
- 488.6 g/mol
- 단동위원소 질량
- 488.16333948
이름 및 식별자
- 우선 이름
- Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)phenolate) S,S-dioxide
- IUPAC
- sodium 4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenolate
- 영어명
- Sodium Thymol Blue
- 분자식
- C27H30O5S.Na
- 분자량
- 489.58
이름 및 동의어
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-, monosodium saltPhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-, sodium salt (1:1)Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, monosodium saltSodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)phenolate) S,S-dioxideSodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)phenolate] S,S-dioxidePhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, sodium salt (1:1)RefChem:887571263-650-6Thymol Blue sodium salt62625-21-2Thymol Blue sodiumThymolsulfonphthalein sodium salt
이름 더 보기
Zinc05224378Thymol Blue (W/S)SODIUM THYMOL BLUEthymol blue solutionTHYMOLSULFONPHTHALEINs-dioxide,monosodiumsaltTHYMOL BLUE, WATER SOLUBLEThymol blue sodium salt, AR
thymol blue solu-tionThymol Blue (sodium)MFCD00151093Thymol Blue (Sodium Salt)Sodium 4-(3-(4-hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxido-3H-benzo[c][1,2]oxathiol-3-yl)-2-isopropyl-5-methylphenolatesodium;4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenolateTHYMOL BLUE, ACSSodium 4-[3-(4-Hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxido-3H-benzo[c][1,2]oxathiol-3-yl]-2-isopropyl-5-methylphenolate
물성
구조 계산 물성
- 극성 표면적
- 95 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 795
물리화학적 성질
- 녹는점
- 283 · 283-285 °C (dec.)(lit.)
- 밀도
- 0.979 g/mL · 0.979 g/mL at 25 °C
- 저장 조건
- room temp
- 용해도
- 95 % · 95% 에탄올: 10mg/mL, 투명, 진한 녹색
- 물리적 상태
- 가루
- 색상
- 오렌지 레드
- 냄새
- 특유의 냄새
- 수용성
- 0.1 N · 물에 불용성0.1N 염산/에탄올에 용해됨.
- BRN
- 3861515 · 3861515
- 안정성
- 안정적인.
- 주요 응용
- 진단 검사 제조혈액학조직학
- InChI
- 1S/C27H30O5S.Na/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6;/h7-16,28-29H,1-6H3;/q;+1/p-1
- InChIKey
- BAVBEHWEOJMHDS-UHFFFAOYSA-M
- SMILES
- [Na+].CC(C)c1cc(c(C)cc1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C(C)C)c([O-])cc4C
- EPA
- Thymol blue sodium salt (62625-21-2)
화학적 성질
brown powder
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 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationPhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, monosodium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationPhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, sodium salt (1:1): ACTIVE
응용 분야
용도A monosodium salt form of thymol blue (T413083), a pH indicator.
관련 반응
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