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Structure

Bromthymol blue sodium salt

CAS
34722-90-2
Catalog Number
ACM34722902
Category
Other Products
Molecular Weight
646.36
Molecular Formula
C27H27Br2NaO5S

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Specification

Synonyms
Sodium bromothymol blue, Bromothymol Blue, sodium salt, EINECS 252-169-7, SBB006520, CID5157491, CID5486495, B-8988, 223272-01-3, 33551-93-8, 34722-90-2, Phenol, 4,4-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)-, monosodium salt, Phenol, 4,4-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide, monosodium salt, Sodium alpha-(3-bromo-5-isopropyl-4-oxo-2-methyl-2,5-cyclohexadienylidene)-2-(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)toluenesulphonate
IUPAC Name
sodium 2-[(Z)-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-(3-bromo-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
Canonical SMILES
CC1=C(C(=C(C=C1C(=C2C=C(C(=O)C(=C2C)Br)C(C)C)C3=CC=CC=C3S(=O)(=O)[O-])C(C)C)O)Br.[Na+]
InChI Key
NMKFVGALBGZKGW-FKWCIMQXSA-M
Melting Point
200-202ºC
Density
0.99 g/cm³
Appearance
green crystalline powder
EC Number
252-169-7
Exact Mass
643.98400
Hazard Statements
Xn
H-Bond Acceptor
5
H-Bond Donor
1
Safety Description
24/25-36-26
Stability
Stable. Incompatible with strong oxidizing agents.
WGK Germany
3
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