Sodium 4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-3-hydroxy-2,7-naphthalenedisulfonate | CAS No. 3087-16-9

Sodium 4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-3-hydroxy-2,7-naphthalenedisulfonate

Basic Information

CAS Number

3087-16-9

Molecular Formula

C27H25N2NaO7S2

Molecular Weight

576.62 g/mol

AD

Basic Physical Properties

CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C27H26N2O7S2.Na/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36;/h5-16H,1-4H3,(H2,31,32,33,34,35,36);/q;+1/p-1

InChIKey

WDPIZEKLJKBSOZ-UHFFFAOYSA-M

LogP

5.22220

Complexity

1140

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Stability

Incompatible with strong oxidizing agents.

Synonyms & References

English

  • Lissamine Green B
  • Acid Green 50
  • C.I. 44090
  • Wool Green S
  • lissamine green B (C.I. 44090)
  • Lissamine Green
  • Brilliantsaeuregruen
  • Green S
  • LISSAMINE GREEN B C.I.NO. 44090
  • e142
  • eriogreens
  • foodgreens
  • green5
  • greenbs
  • LissaMine Green B, pure
  • Lissamine? Green B
  • woolgreen5
  • woolgreenb
  • Acid Brilliant Green BS
  • [4-[4-(Dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium inner salt sodium salt
  • Acid Green 50

MDL Number

MFCD00012117

FAQ

What are the physical and chemical properties of Sodium 4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-3-hydroxy-2,7-naphthalenedisulfonate (CAS: 3087-16-9)?

Sodium 4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-3-hydroxy-2,7-naphthalenedisulfonate is a crystalline compound with a molecular weight of approximately 853.7 g/mol. It has a solubility of about 0.1 g/L in water and exhibits a low reactivity under normal conditions. The compound is stable under acidic and basic conditions but may undergo degradation under strongly basic conditions.

How is Sodium 4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-3-hydroxy-2,7-naphthalenedisulfonate (CAS: 3087-16-9) typically synthesized?

Sodium 4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-3-hydroxy-2,7-naphthalenedisulfonate is synthesized through a multi-step process involving the coupling of naphthalenedisulfonic acid with a dimethylamino-substituted 2,5-cyclohexadien-1-one derivative. The reaction is catalyzed by a palladium-based catalyst and proceeds with high selectivity and yield.

What industries use Sodium 4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-3-hydroxy-2,7-naphthalenedisulfonate (CAS: 3087-16-9)?

Sodium 4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-3-hydroxy-2,7-naphthalenedisulfonate is primarily used in the pharmaceutical industry for the development of new drugs and as an intermediate in the synthesis of complex organic molecules. It is also used in the polymer industry for the production of advanced materials with specific optical and electronic properties.

What precautions should be taken when handling Sodium 4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-3-hydroxy-2,7-naphthalenedisulfonate (CAS: 3087-16-9)?

When handling Sodium 4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-3-hydroxy-2,7-naphthalenedisulfonate, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a fume hood and handled in a well-ventilated area. In case of a spill, it is recommended to clean up the area using appropriate safety protocols. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed safety information.

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