CAS No.128-97-2,1,4,5,8-Naphthalenetetracarboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	128-97-2
Name:	1,4,5,8-Naphthalenetetracarboxylic acid
Article Data:	36

Formula:	C₁₄H₈O₈
Molecular Weight:	304.213
Synonyms:	1,4,5,8-Tetracarboxynaphthalene;NSC 66207;Tetra acid;naphthalene-1,4,5,8-tetracarboxylic acid;
EINECS:	204-924-7
Density:	1.751 g/cm³
Melting Point:	180 °C
Boiling Point:	737.9 °C at 760 mmHg
Flash Point:	414 °C
Solubility:	Soluble in water
Appearance:	Pale yellow solid
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26-36
PSA:	149.20000
LogP:	1.63260

Synthetic route

: 157100-92-0
cyclopenta[fg]acenaphthylene-1,2,5,6-tetraene

: 128-97-2
naphthalene-1,4,5,8-tetracarboxylic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; sodium hydroxide In 1,4-dioxane; water at 60℃; for 2h; Reagent/catalyst;	91%

: 129-00-0
pyrene

: 128-97-2
naphthalene-1,4,5,8-tetracarboxylic acid

Conditions

Conditions	Yield
With sodium dichromate; sulfuric acid
With chromium(III) oxide; sulfuric acid weitere Oxydation mit alkal. Chlorkalk-Loesung;
Multi-step reaction with 3 steps 1: SO2Cl2; nitrobenzene 2: fuming sulfuric acid; SO3 / 80 °C / Erhitzen der mit wss. Schwefelsaeure auf 98 prozentig. Saeure verduennten Reaktionsloesung auf 200grad und Erhitzen des Reaktionsprodukts mit Wasser auf Siedetemperatur 3: alkaline aqueous sodium hypochlorite View Scheme
Multi-step reaction with 2 steps 1: bromine; nitrobenzene / 120 °C 2: concentrated sulfuric acid / 160 - 170 °C / Behandeln des Reaktionsgemisches mit Salpetersaeure bei 120-180grad View Scheme
Multi-step reaction with 2 steps 1: chromic acid 2: KMnO4 View Scheme

: 36440-69-4
1,2-dihydro-cyclopenta[cd]phenalen-5-one

: 128-97-2
naphthalene-1,4,5,8-tetracarboxylic acid

Conditions

Conditions	Yield
With chromic acid; acetic acid

: 6169-92-2
4-oxo-4H-phenalene-1,9-dicarboxylic acid

: 128-97-2
naphthalene-1,4,5,8-tetracarboxylic acid

Conditions

Conditions	Yield
With potassium permanganate

: 128-63-2
1,3,6,8-tetrabromopyrene

: 128-97-2
naphthalene-1,4,5,8-tetracarboxylic acid

Conditions

Conditions	Yield
With sulfuric acid at 160 - 170℃; Behandeln des Reaktionsgemisches mit Salpetersaeure bei 120-180grad;
With sulfuric acid at 160 - 170℃; Behandeln des Reaktionsgemisches mit Salpetersaeure bei 120-180grad;

: 5698-99-7
5,6-acenaphthenedicarboxylic acid

: 128-97-2
naphthalene-1,4,5,8-tetracarboxylic acid

Conditions

Conditions	Yield
With alkaline permanganate
With copper(II) acetate dihydrate; manganese(II) acetate dihydrate; oxygen; acetic acid; potassium bromide at 140℃; under 15200.4 Torr; for 2h; Reagent/catalyst; Time; Temperature;

: 76662-39-0
1,2-dihydro-cyclopenta[cd]phenalene-5,7-dione

: 128-97-2
naphthalene-1,4,5,8-tetracarboxylic acid

Conditions

Conditions	Yield
With nitric acid at 150℃; im Rohr;
With alkaline potassium permanganate

: 59320-81-9
5,7-diimino-2,5,6,7-tetrahydro-1H-cyclopenta[cd]phenalene

: 128-97-2
naphthalene-1,4,5,8-tetracarboxylic acid

Conditions

Conditions	Yield
With sodium dichromate; sulfuric acid

: 6345-20-6
6,7-dihydrocycloheptacenaphthene-5,8-dione

: 128-97-2
naphthalene-1,4,5,8-tetracarboxylic acid

Conditions

Conditions	Yield
With sodium dichromate; acetic acid
With sodium hydroxide; potassium permanganate

: 873385-36-5
pyrene-1,3,6,8-tetraol

: 128-97-2
naphthalene-1,4,5,8-tetracarboxylic acid

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 1,4,5,8-Naphthalenetetracarboxylic acid, with the CAS registry number 128-97-2 and EINECS registry number 204-924-7, has the systematic name of naphthalene-1,4,5,8-tetracarboxylic acid. It is a kind of intermediates of Dyes and Pigments. And the molecular formula of this chemical is C₁₄H₈O₈.

The physical properties of 1,4,5,8-Naphthalenetetracarboxylic acid are as following: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.51; (4)ACD/LogD (pH 7.4): -4.78; (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: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 105.2 Å²; (13)Index of Refraction: 1.765; (14)Molar Refractivity: 71.81 cm³; (15)Molar Volume: 173.6 cm³; (16)Polarizability: 28.46×10^-24cm³; (17)Surface Tension: 107.8 dyne/cm; (18)Density: 1.751 g/cm³; (19)Flash Point: 414 °C; (20)Enthalpy of Vaporization: 112.98 kJ/mol; (21)Boiling Point: 737.9 °C at 760 mmHg; (22)Vapour Pressure: 7.33E-23 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(c2c(ccc(C(=O)O)c12)C(=O)O)C(=O)O
(2)InChI: InChI=1/C14H8O8/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
(3)InChIKey: OLAPPGSPBNVTRF-UHFFFAOYAR

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	3800mg/kg (3800mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 90, 1982.
rat	LD50	oral	7500mg/kg (7500mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 90, 1982.