CAS No.118-03-6,2-Amino-3,6,8-naphthalenetrisulfonic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	118-03-6
Name:	2-Amino-3,6,8-naphthalenetrisulfonic acid
Article Data:	13

Formula:	C₁₀H₉NO₉S₃
Molecular Weight:	383.381
Synonyms:	1,3,6-Naphthalenetrisulfonic acid, 7-amino-;7-Aminonaphthalene-1,3,6-trisulphonic acid;2-Amino-3,6,8-naphthalenetrisulfonic acid;2-Naphthylamine-3,6,8-trisulfonic acid;Kyselina 2-naftylamin-3,6,8-trisulfonova;Kyselina kochova;BRN 2681042;NSC 7561;
EINECS:	204-229-9
Density:	1.974 g/cm³
Melting Point:	140-143°C(lit.)
Boiling Point:	702.53℃[at 101 325 Pa]
Flash Point:	>230°F
Solubility:	1000g/L at 25℃
Hazard Symbols:	Xn,Xi
Risk Codes:	R36/37/38; R22
PSA:	214.27000
LogP:	3.98570

Synthetic route

: 1-nitronaphthalene-3,6,8-trisulfonic acid

: 118-03-6
7-aminonaphthalene-1,3,6-trisulfonic acid

Conditions

Conditions	Yield
With sulfuric acid at 50℃; for 6.89h; electrochemical reduction;	98.1%

: 6259-66-1
7-hydroxy-naphthalene-1,3,6-trisulfonic acid

: 118-03-6
7-aminonaphthalene-1,3,6-trisulfonic acid

Conditions

Conditions	Yield
With ammonia

: 7-sulfoamino-naphthalene-1,3-disulfonic acid

: 118-03-6
7-aminonaphthalene-1,3,6-trisulfonic acid

Conditions

Conditions	Yield
With sulfuric acid at 120 - 130℃;

: 38267-31-1
8-nitronaphthalene-1,3,6-trisulphonic acid

: 118-03-6
7-aminonaphthalene-1,3,6-trisulfonic acid

Conditions

Conditions	Yield
With ammonia unter Druck;

: 6259-66-1
7-hydroxy-naphthalene-1,3,6-trisulfonic acid

: 7664-41-7
ammonia

: 118-03-6
7-aminonaphthalene-1,3,6-trisulfonic acid

: 7664-93-9
sulfuric acid

: 7-sulfoamino-naphthalene-1,3-disulfonic acid

: 118-03-6
7-aminonaphthalene-1,3,6-trisulfonic acid

Conditions

Conditions	Yield
at 120 - 130℃;

: 38267-31-1
8-nitronaphthalene-1,3,6-trisulphonic acid

: 7664-41-7
ammonia

: 118-03-6
7-aminonaphthalene-1,3,6-trisulfonic acid

Conditions

Conditions	Yield
at 100℃; unter Druck;

: 135-19-3
β-naphthol

: 118-03-6
7-aminonaphthalene-1,3,6-trisulfonic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sulfuric acid / 40 - 60 °C 2: potassium chloride; ammonia; ammonium hydrogen sulfite / water / 130 °C 3: sulfuric acid / 130 °C / Inert atmosphere View Scheme

: 86-65-7
2-aminonaphthalene-6,8-disulfonate

: 118-03-6
7-aminonaphthalene-1,3,6-trisulfonic acid

Conditions

Conditions	Yield
With sulfuric acid at 130℃; Temperature; Inert atmosphere;	195.3 g

: 108-77-0
1,3,5-trichloro-2,4,6-triazine

: 25711-72-2
1-amino-3-ureidobenzene

: 118-03-6
7-aminonaphthalene-1,3,6-trisulfonic acid

: C20H14Cl2N8O7S3

Conditions

Conditions	Yield
Stage #1: 7-aminonaphthalene-1,3,6-trisulfonic acid With hydrogenchloride; sodium carbonate; sodium nitrite In water for 1h; Stage #2: 1-amino-3-ureidobenzene With sodium carbonate In water at 0 - 5℃; for 2h; pH=6 - 6.5; Stage #3: 1,3,5-trichloro-2,4,6-triazine In water at 0 - 35℃; for 3h; pH=6 - 6.5;	82%

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 7-Amino-1,3,6-naphthalenetrisulfonic acid with CAS registry number of 118-03-6 is also known as 1,3,6-Naphthalenetrisulfonic acid, 7-amino-. The IUPAC name is 7-Aminonaphthalene-1,3,6-trisulfonic acid. It belongs to product categories of Intermediates of Dyes and Pigments; Organic Acids. Its EINECS registry number is 204-229-9. In addition, the formula is C₁₀H₉NO₉S₃and the molecular weight is 383.37. This chemical should be stored in ventilated, cool and dry room. What's more, it is used for manufacture of dyes and acid-2R.

Physical properties about 7-Amino-1,3,6-naphthalenetrisulfonic acid are: (1)XLogP3-AA: -0.7; (2)H-Bond Donor: 4; (3)H-Bond Acceptor: 10; (4)Rotatable Bond Count: 3; (5)Exact Mass: 382.943943; (6)MonoIsotopic Mass: 382.943943; (7)Topological Polar Surface Area: 214; (8)Heavy Atom Count: 23; (9)Complexity: 756; (10)Covalently-Bonded Unit Count: 1.

Preparation of 7-Amino-1,3,6-naphthalenetrisulfonic acid: it is prepared by reaction of 1-nitronaphthalene-3,6,8-trisulfonic acid. The reaction needs reagent aq. H₂SO₄at the temperature of 50 °C with other condition of electrochemical reduction for 6.89 hours. The yield is about 98.1%.

7-Amino-1,3,6-naphthalenetrisulfonic acid is prepared by reaction of 1-nitronaphthalene-3,6,8-trisulfonic acid.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=C2C=C(C=C(C2=CC(=C1S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O
2. 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)
3. InChIKey: GFPQSWFFPRQEHH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	13gm/kg (13000mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1058, 1986.