Bromothymol Blue Sodium Salt Solution
CAS #: 34722-90-2
Product Code : ENa-A35-CU-CU
CAS #: 34722-90-2
Linear Formula: C27H27Br2O5SNa
MDL Number: MFCD00077263
EC No.: 252-169-7
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Synonyms
Sodium bromothymol blue; 3', 3''-dibromothymolsulfonephthalein sodium salt; sodium α-(3-bromo-5-isopropyl-4-oxo-2-methyl-2, 5-cyclohexadienylidene)-2-(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)toluenesulphonate; Sodium 1-(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)-6-[(3-bromo-5-isopropyl-2-methyl-4-oxo-2, 5-cyclohexadien-1-ylidene)methyl]-2, 4-cyclohexadiene-1-sulfonate; Phenol, 4, 4'-(1, 1-dioxido-3H-2, 1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, monosodium salt
Compound Formula: C27H27Br2O5SNa
Molecular Weight: 646.36
Appearance: Green to blue liquid
Melting Point: N/A
Boiling Point: N/A
Density: 0.99 g/mL
Solubility in H2O: N/A
Exact Mass: 645.982317
Monoisotopic Mass: 645.982317
Health & Safety Information
Signal Word: N/A
Hazard Statements: N/A
Hazard Codes: N/A
Risk Codes: N/A
Safety Statements: N/A
Transport Information: N/A
Chemical Identifiers
Linear Formula: C27H27Br2O5SNa
Pubchem CID: 5157491
MDL Number: MFCD00077263
EC No.: 252-169-7
IUPAC Name: sodium; 2-[(E)-(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
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 Identifier: InChI=1S/C27H28Br2O5S.Na/c1-13(2)18-11-20(15(5)24(28)26(18)30)23(17-9-7-8-10-22(17)35(32,33)34)21-12-19(14(3)4)27(31)25(29)16(21)6;/h7-14,30H,1-6H3,(H,32,33,34);/q;+1/p-1/b23-21-;
InchI Key: NMKFVGALBGZKGW-VZXGSGAOSA-M
