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117-62-4

Basic Information
CAS No.: 117-62-4
Name: 2-Amino-1,5-naphthalenedisulfonic acid
Article Data: 11
Molecular Structure:
Molecular Structure of 117-62-4 (2-Amino-1,5-naphthalenedisulfonic acid)
Formula: C10H9NO6S2
Molecular Weight: 303.317
Synonyms: 2-Amino-1,5-naphthalene disulfonic acid;2-Naphthylamine-1,5-disulfonic acid;AI3-52456;BRN 2888645;Kyselina 2-naftylamin-1,5-disulfonova;Kyselina sulfo-tobiasova;NSC 60279;Tobias acid, 5-sulfo-;
EINECS: 204-201-6
Density: 1.769 g/cm3
Melting Point: > 300oC
Boiling Point: 205.8°C (rough estimate)
Solubility: Soluble in water
Appearance: Beige powder
Hazard Symbols: IrritantXi,CorrosiveC
Risk Codes: 36-34
Safety: 26-28A
PSA: 151.52000
LogP: 3.65820
Synthetic route
81-05-0

6-aminonaphthalene-1-sulfonic acid

A

118-33-2

6-amino-naphthalene-1,3-disulfonic acid

B

117-62-4

2-amino-1,5-naphthalenedisulfonic acid

Conditions
ConditionsYield
With sulfuric acid at 20℃;
With sulfuric acid
81-16-3

2-aminonaphthalenesulfonic acid

117-62-4

2-amino-1,5-naphthalenedisulfonic acid

Conditions
ConditionsYield
With sulfuric acid at 30 - 40℃;
With sulfuric acid
7664-93-9

sulfuric acid

81-16-3

2-aminonaphthalenesulfonic acid

117-62-4

2-amino-1,5-naphthalenedisulfonic acid

7664-93-9

sulfuric acid

81-05-0

6-aminonaphthalene-1-sulfonic acid

A

118-33-2

6-amino-naphthalene-1,3-disulfonic acid

B

117-62-4

2-amino-1,5-naphthalenedisulfonic acid

117-62-4

2-amino-1,5-naphthalenedisulfonic acid

7538-88-7

4-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid

57583-84-3

C23H14Cl2N6O13S4

Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite at 8 - 10℃; for 1h; pH=6 - 6.5;65%
117-62-4

2-amino-1,5-naphthalenedisulfonic acid

94386-30-8

1,2-Naphthochinon-2-diazid-5-sulfonsaeure

Conditions
ConditionsYield
Behandlung mit Soda.Diazotization;
Behandlung mit Soda in Gegenwart von Oxydationsmitteln.Diazotization;
117-62-4

2-amino-1,5-naphthalenedisulfonic acid

575-44-0

1,6-dihydroxynaphthalene

Conditions
ConditionsYield
at 240℃; bei der Kalischmelze unter Druck;
Multi-step reaction with 2 steps
1: durch Kalischmelze
2: 240 °C / bei der Kalischmelze unter Druck
View Scheme
117-62-4

2-amino-1,5-naphthalenedisulfonic acid

494-44-0

7-aminonaphthalene-2-sulfonic acid

Conditions
ConditionsYield
With sulfuric acid at 130℃;
117-62-4

2-amino-1,5-naphthalenedisulfonic acid

871887-69-3

2-amino-5-hydroxy-naphthalene-1-sulfonic acid

Conditions
ConditionsYield
With potassium hydroxide
With potassium hydroxide at 210 - 230℃;
durch Kalischmelze;
117-62-4

2-amino-1,5-naphthalenedisulfonic acid

81-05-0

6-aminonaphthalene-1-sulfonic acid

Conditions
ConditionsYield
With sulfuric acid
With sulfuric acid at 100 - 107℃;
With sulfuric acid
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Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Specification

The 2-Amino-1,5-naphthalenedisulfonic acid with CAS registry number of 117-62-4 is also known as 2-Naphthylamine-1,5-disulfonic acid. The IUPAC name is 2-Aminonaphthalene-1,5-disulfonic acid. It belongs to product categories of Intermediates of Dyes and Pigments; Organic acids. Its EINECS registry number is 204-201-6. In addition, the formula is C10H9NO6S2 and the molecular weight is 303.31. This chemical is a beige powder. Besides, it is used as dye intermediate.

Physical properties about 2-Amino-1,5-naphthalenedisulfonic acid are: (1)ACD/LogP: -0.43; (2)ACD/LogD (pH 5.5): -4.93; (3)ACD/LogD (pH 7.4): -4.93; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.733; (12)Molar Refractivity: 68.62 cm3; (13)Molar Volume: 171.3 cm3; (14)Surface Tension: 90.1 dyne/cm; (15)Density: 1.769 g/cm3.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes and can cause burns. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC2=C(C=CC(=C2S(=O)(=O)O)N)C(=C1)S(=O)(=O)O
2. InChI: InChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
3. InChIKey: YAIKCRUPEVOINQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 5430mg/kg (5430mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1058, 1986.