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87-02-5

Basic Information
CAS No.: 87-02-5
Name: J acid
Article Data: 9
Cas Database
Molecular Structure:
Molecular Structure of 87-02-5 (J acid)
Formula: C10H9NO4S
Molecular Weight: 239.252
Synonyms: 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-;7-amino-4-hydroxynaphthalene-2-sulfonic acid;Kyselina 2-amino-5-naftol-7-sulfonova;Kyselina 6-amino-1-naftol-3-sulfonova;2-Amino-5-naphthol-7-sulfonic acid;Aminonaphthol sulfonic acid J;Isogamma acid;BRN 2217192;CCRIS 8989;NSC 31510;Kyselina I;
EINECS: 201-718-9
Density: 1.627 g/cm3
Melting Point: N/A
Boiling Point: N/A
Flash Point: N/A
Solubility: Soluble in hot water, soda ash and caustic soda
Appearance: White needle crystal
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 26-27-36/37/39
Transport Information: UN 2585 8/PG 3
PSA: 109.00000
LogP: 3.03630
Synthetic route
118-33-2

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

87-02-5

1-hydroxy-6-amino-3-naphthalenesulfonic acid

Conditions
ConditionsYield
durch Alkalischmelze;
With alkali at 180℃;
86-66-8

naphthalene-1,3,6-trisulfonic acid

87-02-5

1-hydroxy-6-amino-3-naphthalenesulfonic acid

Conditions
ConditionsYield
With sodium hydroxide anschliessend Erhitzen mit wss. Ammoniak und Schwefeldioxid;
118-33-2

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

alkali

alkali

87-02-5

1-hydroxy-6-amino-3-naphthalenesulfonic acid

Conditions
ConditionsYield
at 160 - 180℃;
110-86-1

pyridine

87-02-5

1-hydroxy-6-amino-3-naphthalenesulfonic acid

108-24-7

acetic anhydride

1069138-84-6

7-(acetylamino)-4-acetyloxynaphthalene-2-sulfonic acid pyridinium salt

Conditions
ConditionsYield
at 20℃; for 16h;99%
87-02-5

1-hydroxy-6-amino-3-naphthalenesulfonic acid

C20H13N3O8S2(2-)*2Na(1+)

Conditions
ConditionsYield
Stage #1: 7-amino-4-hydroxy-2-naphthalenesulfonic acid With hydrogenchloride; sodium nitrite In water at 0 - 5℃; for 1h;
Stage #2: 7-amino-4-hydroxy-2-naphthalenesulfonic acid In water at 0 - 5℃; for 2h; pH=8 - 9;
93.2%
32315-10-9

bis(trichloromethyl) carbonate

87-02-5

1-hydroxy-6-amino-3-naphthalenesulfonic acid

Conditions
ConditionsYield
With sodium hydroxide at 60℃; for 6h; pH=7 - 8;90%
32315-10-9

bis(trichloromethyl) carbonate

87-02-5

1-hydroxy-6-amino-3-naphthalenesulfonic acid

4-hydroxy-7-{[(5-hydroxy-7-sulfo-(2-naphthyl))amino]carbonylamino}naphthalene-2-sulfonic acid

Conditions
ConditionsYield
With sodium hydroxide; sodium acetate In tetrahydrofuran; water88%
With sodium acetate In tetrahydrofuran; sodium hydroxide; water
87-02-5

1-hydroxy-6-amino-3-naphthalenesulfonic acid

C7H5F2NO

C17H11F2N3O5S

Conditions
ConditionsYield
Stage #1: C7H5F2NO With hydrogenchloride; sodium nitrite In water at 0 - 5℃;
Stage #2: 7-amino-4-hydroxy-2-naphthalenesulfonic acid With sodium carbonate In water at 0 - 5℃; for 0.666667h; pH=7.5 - 8.5;
85%
87-02-5

1-hydroxy-6-amino-3-naphthalenesulfonic acid

1392848-70-2

diphenyl (4'-aminobiphenyl-4-ylamino)(pyridin-3-yl)methylphosphonate

1392848-75-7

7-amino-8-((4'-((diphenoxyphosphoryl)(pyridin-3-yl)methylamino)biphenyl-4-yl)diazenyl)-4-hydroxynaphthalene-2-sulfonic acid

Conditions
ConditionsYield
Stage #1: diphenyl (4'-aminobiphenyl-4-ylamino)(pyridin-3-yl)methylphosphonate With hydrogenchloride; sodium nitrite In water at 0℃;
Stage #2: 7-amino-4-hydroxy-2-naphthalenesulfonic acid With sodium hydroxide In water at 0℃; for 0.5h;
83%
87-02-5

1-hydroxy-6-amino-3-naphthalenesulfonic acid

C8H8FNO2

C18H14FN3O6S

Conditions
ConditionsYield
Stage #1: C8H8FNO2 With hydrogenchloride; sodium nitrite In water at 0 - 5℃;
Stage #2: 7-amino-4-hydroxy-2-naphthalenesulfonic acid With sodium carbonate In water at 0 - 5℃; for 0.666667h; pH=7.5 - 8.5;
83%
Raw Materials
118-33-2
86-66-8
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Reported in EPA TSCA Inventory.

Specification

The 7-Amino-4-hydroxy-2-naphthalene sulfonic acid with CAS registry number of 87-02-5 is also known as 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-. The IUPAC name is 7-Amino-4-hydroxynaphthalene-2-sulfonic acid. It belongs to product categories of Intermediates of Dyes and Pigments. Its EINECS registry number is 201-718-9. In addition, the formula is C10H9NO4S and the molecular weight is 239.25. This chemical is a white needle crystal and should be sealed in cool, clean and dark room.

Physical properties about 7-Amino-4-hydroxy-2-naphthalene sulfonic acid are: (1)ACD/LogP: -1.46; (2)ACD/LogD (pH 5.5): -4.93; (3)ACD/LogD (pH 7.4): -4.98; (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: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.748; (12)Molar Refractivity: 59.8 cm3; (13)Molar Volume: 147 cm3; (14)Surface Tension: 86.4 dyne/cm; (15)Density: 1.627 g/cm3.

Preparation of 7-Amino-4-hydroxy-2-naphthalene sulfonic acid: it is prepared by reaction of 2-naphthylamine-1-acid. Firstly, 2-naphthaleneate-5,7-disulfonmonosodiumate is obtained by sulfonation and hydrolysis. Then the reactant is melted in alkali and acidified to get product.

7-Amino-4-hydroxy-2-naphthalene sulfonic acid is prepared by reaction of 2-naphthylamine-1-acid.

Uses of 7-Amino-4-hydroxy-2-naphthalene sulfonic acid: it is used as dye intermediate and also used to produce 7-amino-3-(3-{4-[2-(2,4-dichloro-phenyl)-vinyl]-phenyl}-2-mercapto-4-oxo-3,4-dihydro-quinazolin-6-ylazo)-4-hydroxy-naphthalene-2-sulfonic acid by reaction with 3-{4-[2-(2,4-dichloro-phenyl)-vinyl]-phenyl}-2-mercapto-4-oxo-3,4-dihydro-quinazoline-6-diazonium. The reaction occurs with reagents Na2CO3, NaCl and solvent H2O. The yield is about 79%.

7-Amino-4-hydroxy-2-naphthalene sulfonic acid is used as dye intermediate and also used to produce 7-amino-3-(3-{4-[2-(2,4-dichloro-phenyl)-vinyl]-phenyl}-2-mercapto-4-oxo-3,4-dihydro-quinazolin-6-ylazo)-4-hydroxy-naphthalene-2-sulfonic acid by reaction with 3-{4-[2-(2,4-dichloro-phenyl)-vinyl]-phenyl}-2-mercapto-4-oxo-3,4-dihydro-quinazoline-6-diazonium.

When you are using this chemical, please be cautious about it. As a chemical, it can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. After using it, take off immediately all contaminated clothing. 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=C(C=C2C=C1N)S(=O)(=O)O)O
2. InChI: InChI=1S/C10H9NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
3. InChIKey: KYARBIJYVGJZLB-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 11500mg/kg (11500mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1057, 1986.