Structure

Xylene cyanol ff

CAS
4463-44-9
Catalog Number
ACM4463449
Category
Main Products
Molecular Weight
554.61
Molecular Formula
C25H27N2NaO7S2

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Specification

Synonyms
5-cyclohexadien-1-ylidene]methyl]-6-hydroxy--methyl-monosodiumsalt;CI 42135;CI 43535;LABOTEST-BB LT00847673;XYLENE CYANOL;XYLENE CYANOL FF;sodium hydrogen 4-[[4-(ethylamino)-m-tolyl][4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene]methyl]-6-hydroxybenzene-1,3-disulphonate ;XYLENE CYANOL FF, CI 43535
IUPAC Name
sodium;4-[(Z)-[4-(ethylamino)-3-methylphenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-5-sulfobenzenesulfonate
Canonical SMILES
CCNC1=C(C=C(C=C1)C(=C2C=CC(=NCC)C(=C2)C)C3=CC(=C(C=C3S(=O)(=O)O)S(=O)(=O)[O-])O)C.[Na+]
InChI Key
ACZRDWVARWLTRG-QJJJQDATSA-M
Melting Point
295°C(dec.)
EC Number
224-728-5
Exact Mass
554.11600
Hazard Statements
Xi
Safety Description
26-36
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