CAS 4430-25-5|TETRABROMOPHENOL BLUE|4,5,6,7-tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-2,1$l^{6}-benzoxathiole-1,1-dione|4,5,6,7-tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-2,1$l^{6}-ben...

General Information

Structure

Molecular Formula

C₁₉H₆Br₈O₅S

Molecular Mass

985.54494

Exact Mass

977.34029029

Charge

InChI

InChI=1S/C19H6Br8O5S/c20-7-1-5(2-8(21)16(7)28)19(6-3-9(22)17(29)10(23)4-6)11-12(24)13(25)14(26)15(27)18(11)33(30,31)32-19/h1-4,28-29H

InChIKey

QPMIVFWZGPTDPN-UHFFFAOYSA-N

Canonic Smiles

Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O

Isomeric Smiles

Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(Br)c2Br)c1cc(Br)c(O)c(Br)c1

Calculated Properties

JChem

Acid pKa

6.407155

H Acceptors

H Donor

LogD (pH = 5.5)

10.206947

LogD (pH = 7.4)

8.746782

Log P

10.258713

Molar Refractivity

155.0992

Polarizability

61.365463

Polar Surface Area

83.83

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Synonyms

TETRABROMOPHENOL BLUE3,3',3'',4,5,5',5'',6-Octa-bromophenolsulfonephthalein3,3′,3″,4,5,5′,5″,6-OctabromophenolsulfonphthaleinTetrabromophenol Blue3,4,5,6,3',5',3'',5''-Octabromophenolsulfonphthalein4,5,6,7-Tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide四溴苯酚兰

IUPAC Traditional name

4,5,6,7-tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-2,1$l^{6}-benzoxathiole-1,1-dione 4,5,6,7-tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-2,1λ⁶-benzoxathiole-1,1-dione

IUPAC name

4,5,6,7-tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-2,1$l^{6}-benzoxathiole-1,1-dione 4,5,6,7-tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-2,1λ⁶-benzoxathiole-1,1-dione

Names and Identifiers

Registration numbers

CAS Number

EC Number

PubChem SID

Beilstein Number

MDL Number

PubChem CID

Registration numbers

Properties

Safety Information

Storage Condition

Room Temperature (15-30°C)

MSDS Link

Download link

German water hazard class

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

TSCA Listed

是

Product Information

Certificate of Analysis

Download link

Empirical Formula (Hill Notation)

C19H6Br8O5S

Compostion

Dye content, 85%

Grade

indicator

Visual Transition Interval

3.0 - 4.6

Purity

95+%

Physical Property

Absorption Wavelength

λmax 605 nm

λmax 388 nm (2nd)

Melting Point

204 °C (dec.)(lit.)

203-205°C dec.

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02156766

Indicator:
pH 3.0 (yellow) - pH 4.6 (blue)
Sulfone Form

Sigma Aldrich

199311

Packaging
1, 5 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Acid-base indicator: pH 3.0 - 4.6.

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC Traditional name

4,5,6,7-tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-2,1$l^{6}-benzoxathiole-1,1-dione 4,5,6,7-tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-2,1λ⁶-benzoxathiole-1,1-dione

IUPAC name

4,5,6,7-tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-2,1$l^{6}-benzoxathiole-1,1-dione 4,5,6,7-tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-2,1λ⁶-benzoxathiole-1,1-dione

Registration numbers

CAS Number

EC Number

PubChem SID

Beilstein Number

MDL Number

PubChem CID