브로모페놀 블루

브로모페놀블루 · AL부에스트 · 브롬페놀BLUE · 3,3,5,5-테트라브로모페놀설폰프탈레인 · 브로모페놀청색 · 테트라브로모페놀술포프탈레인 · 테트라브로모페놀술폰프탈레인 · 브로페놀블루0.1%

식별자 및 물리적 특성

CAS No.	115-39-9
분자식	C19H10Br4O5S
평균 분자량	670 g/mol
단동위원소 질량	665.69824 g/mol
SMILES	O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21
InChIKey	UDSAIICHUKSCKT-UHFFFAOYSA-N
PubChem CID	8272
ChEMBL	CHEMBL2103765
ChEBI	CHEBI:59424
DTXSID	DTXSID6041682
현지명	브로모페놀 블루

화학 및 물리적 성질

XLogP	5.8
극성 표면적	92.2
수소 결합 공여자 수	2
수소 결합 수용자 수	5
회전 가능 결합 수	2
무거운 원자 수	29
형식 전하	0
복잡도	662
Color/Form	Hexagonal prisms from acetic acid and acetoneElongated hexagonal prisms from acetic acid and acetone
용해도	Soluble in acetic acidSoluble in water (about 0.4 g/100 mL)more soluble in methyl and ethyl alcohol, and in benzene. Freely soluble in NaOH solutions with the formation of a water-soluble sodium salt.In water, 3 mg/mL메탄올: 가용성10mg/mL
녹는점	Decomposes at 279 °C (An orange discoloration with formation of a green sublimate sets in at 210 °C)273 °C
Physical Description	Odorless solidColor varies (tan, orange, light pink, purple, or red) [CHEMINFO] Slightly soluble in water[MSDSonline]
Dissociation Constants	pKa = 4.0
Collision Cross Section	214.2 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID6041682]
밀도	0.954 g/mL at 20 °C
인화점	58 °C
저장 조건	Store at RT.
물리적 상태	고체
pKa(산도 계수)	3.85(at 25℃)
끓는 점	605.6±55.0 °C(Predicted)
색상	붉은 보라색
냄새	냄새 없는
pH	pH : 3.0~4.6
용해도	NaOH에 자유롭게 용해됩니다. 수산화나트륨, 알코올, 벤젠, 아세트산에 용해됩니다. 물에 약간 용해됩니다.
Merck	14,1444
BRN	61698
헨리 상수	1.9×1013 mol/(m3Pa) at 25℃, Zhang et al. (2010)
안정성	안정적인. 강한 산화제와 호환되지 않습니다.
주요 응용	나노기술, 반도체, 졸-겔 매트릭스, 연료 전지, 디스플레이 장치, 페인트, 포장 시스템, 기저귀, 콘택트렌즈, 타액 내 핵산 측정, 물의 알칼리도 측정, 유전 물질 보존, 세균 검출, 질 감염 검사 방법
화장품 원료 기능	항균항산화제
InChI	1S/C19H10Br4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H
InChIKey	UDSAIICHUKSCKT-UHFFFAOYSA-N
LogP(분배 계수)	6.880 (est)
EPA	Bromophenol blue (115-39-9)

화학적 성질

Bromophenol Blue is pink or red powder, soluble in ethanol, benzene, ether and other organic solvents, slightly soluble in water, the aqueous solution is yellow, and blue-purple in alkaline solution. It is mainly used as an acid-base indicator, the pH discoloration range is 3.0 to 4.6, and the color changes from yellow to green to blue-violet.

안전 및 규제

규제 정보	Chemical: Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxideHazard Traits - BioaccumulationEnvironmental PersistenceAuthoritative List - Canada PBiTsReport - if used as a fragrance or flavor ingredientBromophenol blue: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide: Human health tier I assessment
유해성 요약	A skin, eye, and respiratory tract irritant[MSDSonline]
Toxic Combustion Products	Hazardous decomposition products formed under fire conditions: Carbon oxides, sulphur oxides, hydrogen bromide gas.
Skin, Eye, and Respiratory Irritations	May cause respiratory tract irritation. May be harmful if absorbed through skin. May cause skin irritation. May cause eye irritation.
Hazardous Reactivities and Incompatibilities	Materials to avoid: Strong oxidizing agents.
소화 절차	Special protective equipment for fire-fighters: Wear self contained breathing apparatus for fire fighting if necessary.Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
보관 조건	Keep container tightly closed in a dry and well-ventilated place. Keep in dry place..
정리 방법	SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a POTW is acceptable only after review by the governing authority. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must meet Hazardous Material Criteria for disposal.Personal precautions: Avoid dust formation.

제조 및 합성 방법

제조 방법

Bromophenol Blue is prepared by slow addition of excess bromine to a hot solution of phenolsulfonphthalein in glacial acetic acid.Synthesis steps: Dissolve phenol red in glacial acetic acid, add a solution of bromine in glacial acetic acid with stirring, pour into 60°C hot water after stirring for a few minutes, cool to room temperature, and place overnight. Filter, wash the filter cake with glacial acetic acid and benzene in turn, and air dry to obtain bromophenol blue.