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| CAS No.: | 582-17-2 |
|---|---|
| Name: | 2,7-Dihydroxynaphthalene |
| Article Data: | 33 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C10H8O2 |
| Molecular Weight: | 160.172 |
| Synonyms: | CI 76645;2,7-Naphthalenediol (8CI,9CI);Naphthalene-2,7-diol;2,7-naphthalenediol;C.I. 76645;Naphthalenediol-2,7 [French]; |
| EINECS: | 209-478-7 |
| Density: | 1.33 g/cm3 |
| Melting Point: | 185-190 °C(lit.) |
| Boiling Point: | 375.4 °C at 760 mmHg |
| Flash Point: | 193.5 °C |
| Solubility: | insoluble in hot water |
| Appearance: | Light yellow to grey needle crystal |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 40.46000 |
| LogP: | 2.25100 |
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- 582-17-2
2,7-Dihydroxynaphthalene
| Conditions | Yield |
|---|---|
| With iron(III) chloride In methanol at 60℃; for 6h; | 95% |
- 40458-98-8
2,7-diisopropylnaphthalene
- 582-17-2
2,7-Dihydroxynaphthalene
| Conditions | Yield |
|---|---|
| Stage #1: 2,7-diisopropylnaphthalene With N-hydroxyphthalimide; azobisisobutyronitrile; oxygen In acetonitrile at 75℃; under 15201 Torr; for 21h; Stage #2: With sulfuric acid In acetonitrile at 25℃; for 2h; Further stages.; | 90% |
- 145970-32-7
7‐((tert‐butyldimethylsilyl)oxy)naphthalen‐2‐ol
- 582-17-2
2,7-Dihydroxynaphthalene
| Conditions | Yield |
|---|---|
| With iron(III) chloride In methanol at 60℃; for 6h; | 90% |
- 20258-95-1
2,7-dihydroxynaphthalene-1-carbaldehyde
- 582-17-2
2,7-Dihydroxynaphthalene
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol for 0.5h; | 82% |
| Multi-step reaction with 2 steps 1: 52 percent / Br2 / pyridine / 1 h 2: 20 percent / hydrogen chloride / ethanol / 0.5 h View Scheme |
- 526190-47-6
2,7-bis(diethylcarbamoyloxy)naphthalene
- 582-17-2
2,7-Dihydroxynaphthalene
| Conditions | Yield |
|---|---|
| With zirconocene dichloride In tetrahydrofuran at 20℃; Inert atmosphere; | 82% |
- 1655-35-2, 51770-81-1
2,7-naphthalenedisulfonic acid, sodium salt
- 582-17-2
2,7-Dihydroxynaphthalene
| Conditions | Yield |
|---|---|
| With sodium oxide; sodium hydroxide In dodecane at 290℃; for 8h; Solvent; Temperature; Autoclave; | 77.1% |
- 40458-98-8
2,7-diisopropylnaphthalene
A
- 582-17-2
2,7-Dihydroxynaphthalene
B
- 760179-65-5
7-isopropylnaphthalen-2-ol
| Conditions | Yield |
|---|---|
| Stage #1: 2,7-diisopropylnaphthalene With N-hydroxyphthalimide; azobisisobutyronitrile; oxygen In acetonitrile at 75℃; under 760.051 Torr; for 21h; Stage #2: With sulfuric acid In acetonitrile at 25℃; for 2h; Further stages.; | A 67% B 21% |
- 22472-26-0
2,7-diacetoxynaphthalene
A
- 582-17-2
2,7-Dihydroxynaphthalene
B
- 146744-23-2
2-acetoxy-7-hydroxynaphthalene
| Conditions | Yield |
|---|---|
| With lipase of Pseudomonas sp; water In various solvent(s) at 25℃; for 1h; Hydrolysis; deacetylation; | A n/a B 45% |
- 25932-69-8
2-<2,7-Dihydroxy-naphthoyl>-benzoesaeure
- 108-46-3
recorcinol
A
- 582-17-2
2,7-Dihydroxynaphthalene
B
- 2321-07-5
fluorescein
| Conditions | Yield |
|---|---|
| With methanesulfonic acid In toluene | A 43% B 20% |
- 81803-62-5
8-bromo-2,7-dihydroxynaphthalene-1-carbaldehyde
A
- 20258-95-1
2,7-dihydroxynaphthalene-1-carbaldehyde
B
- 582-17-2
2,7-Dihydroxynaphthalene
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol for 0.5h; | A 35% B 20% |
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Consensus Reports
Specification
The CAS register number of 2,7-Naphthalenediol is 582-17-2. It also can be called as 2,7-Dihydroxynaphthalene and the IUPAC name about this chemical is naphthalene-2,7-diol. The molecular formula about this chemical is C10H8O2 and the molecular weight is 160.17. It belongs to the following product categories, such as Fine Chemical & Intermediates; Aromatics; API intermediates and so on. This chemical can be used as dye and medicine intermediate. In the air, the solution will quickly become deeper.
Physical properties about 2,7-Naphthalenediol are: (1)ACD/LogP: 1.98; (2)ACD/LogD (pH 5.5): 1.98; (3)ACD/LogD (pH 7.4): 1.97; (4)ACD/BCF (pH 5.5): 18.7; (5)ACD/BCF (pH 7.4): 18.38; (6)ACD/KOC (pH 5.5): 283.16; (7)ACD/KOC (pH 7.4): 278.21; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.725; (13)Molar Refractivity: 47.85 cm3; (14)Molar Volume: 120.4 cm3; (15)Polarizability: 18.97x10-24cm3; (16)Surface Tension: 64.4 dyne/cm; (17)Enthalpy of Vaporization: 64.73 kJ/mol; (18)Boiling Point: 375.4 °C at 760 mmHg; (19)Vapour Pressure: 3.62E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,7-dihydroxy-[1]naphthaldehyde. This reaction will need reagent hydrogen chloride and solvent ethanol. The reaction time is 30 min. The yield is about 82%.
Uses of 2,7-Naphthalenediol: it can be used to produce 1-nitroso-naphthalene-2,7-diol. This reaction will need reagent hydrochloric acid and NaNO2.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc2c(cc1)ccc(O)c2
(2)InChI: InChI=1/C10H8O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H
(3)InChIKey: DFQICHCWIIJABH-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H8O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H
(5)Std. InChIKey: DFQICHCWIIJABH-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 102mg/kg (102mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 381, 1978. |