Bromochlorophenol blue
Basic information
- CAS
2553-71-1- Standard SMILES
O=S1(=O)OC(c2cc(Cl)c(O)c(Br)c2)(c2cc(Cl)c(O)c(Br)c2)c2ccccc21- InChIKey
MDGFKZKMIQQRPU-UHFFFAOYSA-N- Molecular formula
- C19H10Br2Cl2O5S
- Average molar mass
- 581.1 g/mol
- Monoisotopic mass
- 577.79928
Overview
new stain for erythroblasts
Names & identifiers
- Preferred name
- Bromochlorophenol blue
- IUPAC
- 2-bromo-4-[3-(3-bromo-5-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-6-chlorophenol
- English name
- Bromochlorophenol Blue
- Molecular formula
- C19H10Br2Cl2O5S
- Molecular weight
- 581.06
Names & synonyms
Bromochlorophenol blue2553-71-1QX9KKY3SWPNSC-7816DTXSID001802304,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2-bromo-6-chlorophenol) S,S-dioxidePhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-chloro-Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-6-chloro-RefChem:121563DTXCID101027214,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-6-chlorophenol), S,S-dioxide219-861-0
Show more names
BromochlorophenolBromochlorophenol Blbromochorophenol blueBROMOCHLOROPHENOL BLUE INDICATORBROMOCHLOROPHENOL BLUE, WATER SOLUBLEbromchlorophenol blue alcohol solubleDIBROMO DICHLORO PHENOL SULFONPHTHALEIN
Bromchlorophenol blueBROMOCHLOROPHENOLBLUENSC 7816MFCD00047291NSC78163,3-Bis(3-bromo-5-chloro-4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxideAKOS0159155632-bromo-4-[3-(3-bromo-5-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-chlorophenol
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 690
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 230 °C · 230 °C
- Boiling point
- 602.9 · 602.9±55.0 °C(Predicted)
- Density
- 1.962 · 1.962±0.06 g/cm3(Predicted)
- storage temp.
- room temp
- solubility
- Solubility Sparingly soluble in water; soluble in ethanol
- pka
- 6.05 · 6.05(at 25℃)
- form
- powder
- color
- Violet-pink
- PH Range
- 3 · 3(yellow)-4.6(blue/violet)
- Water Solubility
- sparingly soluble
- λmax
- 590 nm · 590nm
- ε(extinction coefficient)
- 15000 at · ≥15000 at 306-310nm in 0.1 M NaOH at 0.01g/L≥8000 at 378-382nm in 0.1 M NaOH at 0.01g/L
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-chloro-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 24/25-36-26
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesBromochlorophenol Blue (CAS# 2553-71-1) is a pH indicator and has been used in colorimetric sensor arrays for detection and Identification of sugars. Dyes and metabolites.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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