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| CAS No.: | 128-97-2 |
|---|---|
| Name: | 1,4,5,8-Naphthalenetetracarboxylic acid |
| Molecular Structure: | |
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|
|
| 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 |
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- 157100-92-0
cyclopenta[fg]acenaphthylene-1,2,5,6-tetraene
- 128-97-2
naphthalene-1,4,5,8-tetracarboxylic acid
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; sodium hydroxide In 1,4-dioxane; water at 60℃; for 2h; Reagent/catalyst; | 91% |
| 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 | Yield |
|---|---|
| With chromic acid; acetic acid |
| Conditions | Yield |
|---|---|
| With potassium permanganate |
| 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; |
| 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 | 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 | Yield |
|---|---|
| With sodium dichromate; sulfuric acid |
| 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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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. |