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115-39-9 molecular structure
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3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-2,1$l^{6}-benzoxathiole-1,1-dione

ChemBase ID: 102319
Molecular Formular: C19H10Br4O5S
Molecular Mass: 669.9607
Monoisotopic Mass: 665.69824242
SMILES and InChIs

SMILES:
Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(O)c(Br)c1
Canonical SMILES:
Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O
InChI:
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

Cite this record

CBID:102319 http://www.chembase.cn/molecule-102319.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-2,1$l^{6}-benzoxathiole-1,1-dione
3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-2,1λ6-benzoxathiole-1,1-dione
IUPAC Traditional name
bromphenol blue
Synonyms
3,3',5,5'-Tetrabromophenolsulfonphthalein
BROMOPHENOL BLUE SULFONE FORM
TETRABROMOPHENOL BLUE
Bromophenol Blue solution
Bromphenol Blue
Bromophenol Blue, ACS
Bromphenol Blue Sultone Form
3',3",5',5"-Tetrabromophenolsulfonphthalein
BROMOPHENOL BLUE, ACS
Bromophenol Blue (BPB)
Bromophenol Blue
Bromophenol blue
3′,3′′,5′,5′′-Tetrabromophenolsulfonephthalein
3′,3″,5′,5″-Tetrabromophenolsulfonphthalein
溴酚蓝 溶液
溴酚蓝, ACS
3′,3′′,5′,5′′-四溴酚磺酰酞
溴酚蓝磺酸内酯
溴酚蓝
CAS Number
115-39-9
EC Number
200-679-5
204-086-2
MDL Number
MFCD00005875
Beilstein Number
61698
Merck Index
141444
PubChem SID
162088184
24891504
24850869
24847169
24859642
PubChem CID
8272
CHEBI ID
59424
Chemspider ID
7973
Wikipedia Title
Bromophenol_blue

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.4071875  H Acceptors
H Donor LogD (pH = 5.5) 7.131941 
LogD (pH = 7.4) 5.671823  Log P 7.1837025 
Molar Refractivity 124.608 cm3 Polarizability 48.59478 Å3
Polar Surface Area 83.83 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Freely soluble in NaOH expand Show data source
Apperance
Crystalline expand Show data source
powder expand Show data source
Melting Point
270°C dec. expand Show data source
273 °C (523 °F); decomposes at 279 °C. expand Show data source
273 °C(lit.) expand Show data source
273°C expand Show data source
279 °C (decomp) expand Show data source
ca 270°C dec. expand Show data source
Boiling Point
205.6±55 °C expand Show data source
Flash Point
136.4 °F expand Show data source
58 °C expand Show data source
Density
0.954 g/mL at 20 °C expand Show data source
2.2 g/mL expand Show data source
Vapor Pressure
Extremely low expand Show data source
pH
3.0-4.6 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
SJ7453000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2265 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
61-20/21-36 expand Show data source
Safety Statements
53-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H312 + H332-H319-H360D expand Show data source
GHS Precautionary statements
P201-P280-P305 + P351 + P338-P308 + P313 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
RID/ADR
UN 2265 3/PG 3 expand Show data source
Concentration
~1% in DMF expand Show data source
Grade
ACS expand Show data source
ACS reagent expand Show data source
for microscopy (Hist.) expand Show data source
indicator expand Show data source
indicator (pH 3.0-4.6) expand Show data source
JIS special grade expand Show data source
Reag. Ph. Eur. expand Show data source
REAGENT expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Visual Transition Interval
3.0 - 4.6, yellow to blue expand Show data source
Empirical Formula (Hill Notation)
C19H10Br4O5S expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02101123 external link
Sulfone Form
MP Biomedicals - 02152505 external link
ACS Reagent Grade
Free Acid
MP Biomedicals - 05218645 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 18030 external link
Application
adsorption indicator
Sigma Aldrich - 18046 external link
General description
Visit our Titration Center to learn more.
Other Notes
Test solution for following the progress of peptide coupling in solid-phase synthesis visually: the color changes from blue to yellow-orange1
Sigma Aldrich - 32712 external link
General description
Visit our Titration Center to learn more.
Sigma Aldrich - B0126 external link
包装
25 g in glass bottle
Sigma Aldrich - 114391 external link
Packaging
5, 25 g in glass bottle
Application
Bromphenol Blue is used as a tracking dye in DNA, RNA (agarose) and protein (polyacrylamide) gel electrophoresis. Bromophenol blue migrates at approximately the same rate as 300-500bp DNA in agarose gel and at the buffer front in protein polyacrylamide gels.
Sigma Aldrich - 40-1006 external link
Suitability
for titration

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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