Bromocresol Purple Sodium Salt Solution
CAS #: 62625-30-3
Product Code : ENa-A33-CU-CU
CAS #: 62625-30-3
Linear Formula: C21H15Br2O5SNa
MDL Number: MFCD00148896
EC No.: 263-655-3
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Synonyms
Bromocresol Purple; 5', 5''-Dibromo-o-cresolsulfonephthalein sodium salt; Sodium 2-[(3-bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxo-2, 5-cyclohexadien-1-ylidene)methyl]benzenesulfonate; sodium α-(3-bromo-5-methyl-4-oxo-2, 5-cyclohexadienylidene)-α-(3-bromo-5-methyl-4-hydroxyphenyl)toluenesulphonate
Compound Formula: C21H15Br2O5SNa
Molecular Weight: 562.2
Appearance: Dark red liquid
Melting Point: N/A
Boiling Point: N/A
Density: 0.991 g/mL
Solubility in H2O: N/A
Exact Mass: 561.888417
Monoisotopic Mass: 559.890463
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: C21H15Br2O5SNa
Pubchem CID: 3830446
MDL Number: MFCD00148896
EC No.: 263-655-3
IUPAC Name: sodium; 2-[(3-bromo-4-hydroxy-5-methylphenyl)-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
Beilstein/Reaxys No.: N/A
SMILES: CC1=CC(=C(C2=CC=CC=C2S(=O)(=O)[O-])C3=CC(=C(C(=C3)Br)O)C)C=C(C1=O)Br.[Na+]
InchI Identifier: InChI=1S/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)20(11)24)19(14-8-12(2)21(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28;/h3-10,24H,1-2H3,(H,26,27,28);/q;+1/p-1
InchI Key: KVSJYIXUWNOWBD-UHFFFAOYSA-M