AG00IB23

62625-30-3 | Bromocresol Purple sodium salt

AG00IB23

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CAS Number	62625-30-3
Catalog Number	AG00IB23(AGN-PC-0472ZU)
Chemical Name	Bromocresol Purple sodium salt
IUPAC Name	sodium;2-[(E)-(3-bromo-4-hydroxy-5-methylphenyl)-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
InChI	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/b19-14+;
InChI Key	KVSJYIXUWNOWBD-UGAWPWHASA-M
MDL Number	MFCD00148896
Molecular Formula	C21H15Br2NaO5S
Molecular Weight	562.2036
SMILES	[Na+].CC1=CC(=CC(Br)=C1O)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC(Br)=C([O-])C(C)=C1
Synonyms	Bromocresol Purple sodium salt, Sodium Bromocresol Purple, MFCD00148896, 62625-30-3, Bromocresol Purple, water soluble, 94333-63-8, EINECS 305-043-1, Bromocresol Purple, sodium salt, pure, water soluble, indicator, 5',5''-Dibromo-o-cresolsulfonephthalein sodium salt, bromocresol-purple sodium-salt, GT2398, SBB006486, SBB058111, AKOS015902883, AKOS015964137, AKOS024282612, AKOS030255671, AC-18342, Sodium 2-((3-bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl)benzenesulphonate, ST057223, S0042, ST51012441, 5',5''-Dibromo-o-cresolsulfonphthalein sodium salt, I14-19368, Bromcresol Purple sodium, UNII-F9HZ0OW9HE, C21H16Br2O5S.Na, C21-H16-Br2-O5-S.Na, EINECS 263-655-3, CID6433041, Bromocresol purple sodium salt (<lt/> 0.1%) in aqueous solution, Fenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxatiol-3-ilideno)bis[2-bromo-6-metil-, sal de sodio (1:1), Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-6-methyl-, monosodium salt, Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-methyl-, monosodium salt, Phenol, 4,4'-(3H-2,1-benzoxathiol- 3-ylidene)bis[2-bromo-6-methyl-, S,S-dioxide, monosodium salt, Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-methyl-, S,S-dioxide, monosodium salt, Sodium 2-[(3-bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulphonate, Sodium alpha-(3-bromo-5-methyl-4-oxo-2,5-cyclohexadienylidene)-alpha-(3-bromo-5-methyl-4-hydroxyphenyl)toluenesulphonate,

Complexity	874
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	561.888g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	562.204g/mol
Monoisotopic Mass	559.89g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number