2,7-Naphthalenedisulfonicacid, 4-amino-3,6-bis[2-[4-[2-(4-aminophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-5-hydroxy- supplier

Name
4-Amino-3,6-bis[[4-[(4-aminophenyl)azo]-2-methoxy-5-methylphenyl]azo]-5-hydroxy-2,7-naphthalenedisulfonic acid
EINECS
CAS No. 70833-48-6
Density 1.57 g/cm³
Solubility
Melting Point
Formula C₃₈H₃₅N₁₁O₉S₂
Boiling Point
Molecular Weight 853.88
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,7-Naphthalenedisulfonicacid, 4-amino-3,6-bis[[4-[(4-aminophenyl)azo]-2-methoxy-5-methylphenyl]azo]-5-hydroxy-(9CI);
PSA 337.64000
LogP 12.43140

2,7-Naphthalenedisulfonicacid, 4-amino-3,6-bis[2-[4-[2-(4-aminophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-5-hydroxy- Specification

This chemical is called 2,7-Naphthalenedisulfonicacid, 4-amino-3,6-bis[2-[4-[2-(4-aminophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-5-hydroxy-, and its systematic name is 4-amino-3,6-bis[[4-(4-aminophenyl)azo-2-methoxy-5-methyl-phenyl]azo]-5-hydroxy-naphthalene-2,7-disulfonic acid. With the molecular formula of C₃₈H₃₅N₁₁O₉S₂, its molecular weight is 853.88. The CAS registry number of this chemical is 70833-48-6.

Other characteristics of the 2,7-Naphthalenedisulfonicacid, 4-amino-3,6-bis[2-[4-[2-(4-aminophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-5-hydroxy- can be summarised as followings: (1)ACD/LogP: 4.60; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 0.12; (4)ACD/LogD (pH 7.4): 0.1; (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: 20; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 341.13 Å²; (13)Index of Refraction: 1.733; (14)Molar Refractivity: 216.66 cm³; (15)Molar Volume: 540.7 cm³; (16)Polarizability: 85.89×10^-24cm³; (17)Surface Tension: 69.2 dyne/cm; (18)Density: 1.57 g/cm³.

You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C38H35N11O9S2/c1-19-13-28(30(57-3)17-26(19)44-42-24-9-5-22(39)6-10-24)46-48-36-32(59(51,52)53)15-21-16-33(60(54,55)56)37(38(50)34(21)35(36)41)49-47-29-14-20(2)27(18-31(29)58-4)45-43-25-11-7-23(40)8-12-25/h5-18,50H,39-41H2,1-4H3,(H,51,52,53)(H,54,55,56)/b44-42+,45-43+,48-46+,49-47+
2.Smiles: O=S(=O)(c1c(c(c2c(c(c(cc2c1)S(=O)(=O)O)\N=N\c1c(cc(c(c1)C)\N=N\c1ccc(cc1)N)OC)O)N)\N=N\c1c(cc(c(c1)C)\N=N\c1ccc(cc1)N)OC)O

Product Name

4-Amino-3,6-bis[[4-[(4-aminophenyl)azo]-2-methoxy-5-methylphenyl]azo]-5-hydroxy-2,7-naphthalenedisulfonic acid

2,7-Naphthalenedisulfonicacid, 4-amino-3,6-bis[2-[4-[2-(4-aminophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-5-hydroxy- Specification

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