7-Amino-1,3,6-naphthalenetrisulfonic acid

Basic Information

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CAS Number

118-03-6

Molecular Formula

C10H9NO9S3

Molecular Weight

383.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

°Cat760mmHg

Refractive Index

1.6800 (estimate)

SMILES

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C1=C2C=C(C(=CC2=C(C=C1S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C10H9NO9S3/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)

InChIKey

GFPQSWFFPRQEHH-UHFFFAOYSA-N

LogP

0.1621000000000004

Topological Polar Surface Area

189.12999999999997 Å²

Hydrogen Bond Donor/Acceptor

5 / 10

Complexity

756

Synonyms & References

English

7-Amino-1,3,6-naphthalenetrisulfonic acid
NSC7561
7-Aminonaphthalene-1,3,6-trisulphonic acid
AKOS015900196
XJ2U5L6AXF
7-Amino-1,6-naphthalenetrisulfonic acid
2-Naphthylamine-3,6,8-trisulfonic acid
BRN 2681042
1,3,6-NAPHTHALENETRISULFONIC ACID, 7-AMINO-
2-Amino-3,6,8-naphthalenetrisulfonic acid
BS-48193
MFCD00035721
Kyselina 2-naftylamin-3,8-trisulfonova
118-03-6
NSC 7561
1,6-Naphthalenetrisulfonic acid, 7-amino-
2-aminonaphthalene-3,6,8-trisulphonic acid
Kyselina kochova
DTXSID4059465
A803870
GFPQSWFFPRQEHH-UHFFFAOYSA-N
7-aminonaphthalene-1,3,6-trisulfonic acid
0-14-00-00800 (Beilstein Handbook Reference)
NS00005553
CBDivE_015614
SCHEMBL152672
W-108552
Kyselina kochova [Czech]
2-Naphthylamine-3,8-trisulfonic acid
2-aminonaphthalene-3,6,8-trisulfonic acid
FT-0613142

MDL Number

MFCD00035721

Customs Code

2921499090

FAQ

What are the physical and chemical properties of 7-Amino-1,3,6-naphthalenetrisulfonic acid (CAS: 118-03-6)?

7-Amino-1,3,6-naphthalenetrisulfonic acid (CAS: 118-03-6) is a crystalline compound with a molecular weight of approximately 324.17 g/mol. It has a high solubility in water, with a solubility of about 125 g/100 mL at 20°C. The compound exhibits basic properties and is not highly reactive under normal conditions. It is soluble in strong acids and undergoes minimal chemical changes in neutral and basic media.

How is 7-Amino-1,3,6-naphthalenetrisulfonic acid (CAS: 118-03-6) typically synthesized?

7-Amino-1,3,6-naphthalenetrisulfonic acid (CAS: 118-03-6) is typically synthesized through a multi-step process involving the sulfonation of naphthalene, followed by the amination of one of the sulfonic acid groups. Commonly, the sulfonation is performed using concentrated sulfuric acid, and the amination step involves the use of aniline or another amine under mild conditions. The overall yield is around 80-90% depending on the purity of the starting materials and the reaction conditions.

What industries use 7-Amino-1,3,6-naphthalenetrisulfonic acid (CAS: 118-03-6)?

7-Amino-1,3,6-naphthalenetrisulfonic acid (CAS: 118-03-6) finds applications in various industries. It is used in the pharmaceutical industry for the synthesis of certain dyes and pigments due to its chromogenic properties. In the semiconductor industry, it serves as a precursor for the production of naphthalene-based compounds. Additionally, it has applications in the polymer industry as a colorant and in the development of sensors for detecting various analytes.

What precautions should be taken when handling 7-Amino-1,3,6-naphthalenetrisulfonic acid (CAS: 118-03-6)?

When handling 7-Amino-1,3,6-naphthalenetrisulfonic acid (CAS: 118-03-6), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a well-ventilated area and away from strong oxidizers and acids. In the event of a spill, the area should be cleaned up immediately with water and appropriate absorbents. The material safety data sheet (MSDS) should always be consulted for detailed safety information and emergency procedures. Handling should be conducted in a fume hood to prevent inhalation exposure.