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Solvent Red 30

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Name

Solvent Red 30

EINECS 228-321-3
CAS No. 6226-87-5 Density N/A
PSA 203.71000 LogP 9.87440
Solubility N/A Melting Point N/A
Formula C34H39N5O7S2 Boiling Point N/A
Molecular Weight 693.83 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6226-87-5 (Solvent Red 30) Hazard Symbols N/A
Synonyms

7-Hydroxy-8-((4-(phenylazo)phenyl)azo)naphthalene-1,3-disulphonic acid, compound with dicyclohexylamine;1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-(phenylazo)phenyl)azo)-, compd. with N-cyclohexylcyclohexanamine;N-cyclohexylcyclohexanamine; (8E)-7-oxo-8-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-1,3-disulfonic acid;

 

Solvent Red 30 Specification

The Solvent Red 30, with the CAS registry number 3469-20-3, is also known as 7-Hydroxy-8-((4-(phenylazo)phenyl)azo)naphthalene-1,3-disulphonic acid, compound with dicyclohexylamine. Its EINECS number is 228-321-3. It belongs to the product category of Solvent Dyestuff. This chemical's molecular formula is C34H39N5O7S2 and molecular weight is 693.83. What's more, its systematic name is (8Z)-7-oxo-8-(2-{4-[(E)-phenyldiazenyl]phenyl}hydrazinylidene)-7,8-dihydronaphthalene-1,3-disulfonic acid - N-cyclohexylcyclohexanamine (1:1).

Physical properties of Solvent Red 30 are: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 160.89 Å2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=C3C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O
(2)Isomeric SMILES: C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N/N=C/3\C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O
(3)InChI: InChI=1S/C22H16N4O7S2.C12H23N/c27-19-11-6-14-12-18(34(28,29)30)13-20(35(31,32)33)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-13,25H,(H,28,29,30)(H,31,32,33);11-13H,1-10H2/b24-23?,26-22+
(4)InChIKey: FOJZWBKGGLLCMS-WRLIUMNDSA-N

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