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90-40-4

Basic Information
CAS No.: 90-40-4
Name: 8-Hydroxy-2-naphthylamine-3,6-disulfonic acid
Article Data: 8
Molecular Structure:
Molecular Structure of 90-40-4 (8-Hydroxy-2-naphthylamine-3,6-disulfonic acid)
Formula: C10H9NO7S2
Molecular Weight: 319.316
Synonyms: 1-Naphthol-3,6-disulfonicacid, 7-amino- (6CI);1-Hydroxy-3,6-disulfo-7-aminonaphthalene;2-Amino-8-hydroxynaphthalene-3,6-disulfonic acid;2-Amino-8-naphthol-3,6-disulfonic acid;2R acid;3-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid;6-Amino-4-naphthol-2,7-disulfonic acid;7-Amino-1-hydroxy-3,6-naphthalenedisulfonic acid;7-Amino-1-naphthol-3,6-disulfonic acid;Gamma disulfo acid;NSC 10435;NSC7560;RR acid;
EINECS: 201-989-3
Density: 1.88 g/cm3
Boiling Point: 603.18℃[at 101 325 Pa]
Solubility: 35.36g/L at 25℃
PSA: 171.75000
LogP: 3.36380
Synthetic route
118-03-6

7-aminonaphthalene-1,3,6-trisulfonic acid

90-40-4

2-amino-8-hydroxy-naphthalene-3,6-disulphonic acid

Conditions
ConditionsYield
With alkali at 220 - 260℃;
118-03-6

7-aminonaphthalene-1,3,6-trisulfonic acid

alkali

alkali

90-40-4

2-amino-8-hydroxy-naphthalene-3,6-disulphonic acid

Conditions
ConditionsYield
at 220 - 260℃;
tetrasodium-salt of/the/ 2-amino-naphthalene-1.3.6.8-tetrasulfonic acid

tetrasodium-salt of/the/ 2-amino-naphthalene-1.3.6.8-tetrasulfonic acid

90-40-4

2-amino-8-hydroxy-naphthalene-3,6-disulphonic acid

Conditions
ConditionsYield
With sodium hydroxide at 200℃;
75-44-5

phosgene

90-40-4

2-amino-8-hydroxy-naphthalene-3,6-disulphonic acid

5,5'-dihydroxy-3,3'-ureylene-bis-naphthalene-2,7-disulfonic acid ; sodium salt

Conditions
ConditionsYield
With sodium carbonate
90-40-4

2-amino-8-hydroxy-naphthalene-3,6-disulphonic acid

175697-96-8

6-nitro-1-naphthoic acid chloride

5,5'-dihydroxy-3,3'-(5,5'-ureylene-bis-[1]naphthoylamino)-bis-naphthalene-2,7-disulfonic acid

Conditions
ConditionsYield
Reduktion und Behandlung des Reaktionsprodukts mit Phosgen bei Gegenwart von Natriumacetat in waessr. Loesung;
90-40-4

2-amino-8-hydroxy-naphthalene-3,6-disulphonic acid

100-05-0

4-nitrobenzenediazonium chloride

3-amino-4-(4-amino-phenylazo)-5-hydroxy-naphthalene-2,7-disulfonic acid

Conditions
ConditionsYield
und Reduktion mit Natriumsulfid;
90-40-4

2-amino-8-hydroxy-naphthalene-3,6-disulphonic acid

100-05-0

4-nitrobenzenediazonium chloride

3-amino-5-hydroxy-4-(4-nitro-phenylazo)-naphthalene-2,7-disulfonic acid

Conditions
ConditionsYield
With acetic acid
90-40-4

2-amino-8-hydroxy-naphthalene-3,6-disulphonic acid

100-34-5

benzene diazonium chloride

6-amino-4-hydroxy-3-phenylazo-naphthalene-2,7-disulfonic acid

Conditions
ConditionsYield
With alkali
90-40-4

2-amino-8-hydroxy-naphthalene-3,6-disulphonic acid

575-38-2

1,7-Dihydroxynaphthalene

Conditions
ConditionsYield
With sulfuric acid at 200℃;
With hydrogenchloride at 200℃;
With phosphoric acid at 200℃;
With formic acid at 200℃;
90-40-4

2-amino-8-hydroxy-naphthalene-3,6-disulphonic acid

858020-15-2

6-amino-2,3,5,7-tetrabromo-[1,4]naphthoquinone

Conditions
ConditionsYield
With bromine; acetic acid
Raw Materials
118-03-6
Downstream Products
575-38-2
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Specification

The 2,7-Naphthalenedisulfonicacid, 3-amino-5-hydroxy-, with CAS registry number 90-40-4, belongs to the following product category: Intermediates of Dyes and Pigments. It has the systematic name of 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid. And the chemical formula of this chemical is C10H9NO7S2. The main use of this chemical is for intermediates of dyes and pigments.

Physical properties of 2,7-Naphthalenedisulfonicacid, 3-amino-5-hydroxy-: (1)ACD/LogP: -2.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.81; (4)ACD/LogD (pH 7.4): -6.84; (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: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 115.97 Å2; (13)Index of Refraction: 1.764; (14)Molar Refractivity: 70.15 cm3; (15)Molar Volume: 169.8 cm3; (16)Polarizability: 27.81×10-24cm3; (17)Surface Tension: 104.7 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1c(cc2c(c1)cc(cc2O)S(=O)(=O)O)N
(2)InChI: InChI=1/C10H9NO7S2/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
(3)InChIKey: VNWVMZDJPMCAKD-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H9NO7S2/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
(5)Std. InChIKey: VNWVMZDJPMCAKD-UHFFFAOYSA-N