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CAS No.: | 78119-82-1 |
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Name: | 6-Hydroxy-2-naphthaldehyde |
Molecular Structure: | |
Formula: | C11H8O2 |
Molecular Weight: | 172.183 |
Synonyms: | 2-Hydroxyethylmorpholine; |
Density: | 1.288 g/cm3 |
Melting Point: | 178-180 °C |
Boiling Point: | 373.4 °C at 760 mmHg |
Flash Point: | 159.4 °C |
Solubility: | Soluble in hot methanol |
Appearance: | light yellow crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 52 |
PSA: | 37.30000 |
LogP: | 2.35790 |
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The 6-Hydroxy-2-Naphthaldehyde is an organic compound with the formula C11H8O2. The IUPAC name of this chemical is 6-hydroxynaphthalene-2-carbaldehyde. With the CAS registry number 78119-82-1, it is also named as 2-Naphthol-6-carboxaldehyde. The product's categories are Intermediates of Dyes and Pigments; Aromatic Aldehydes & Derivatives (substituted). It is light yellow crystalline powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of 6-Hydroxy-2-Naphthaldehyde can be summarized as: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 24.65; (6)ACD/BCF (pH 7.4): 23.2; (7)ACD/KOC (pH 5.5): 344.93; (8)ACD/KOC (pH 7.4): 324.74; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.719; (14)Molar Refractivity: 52.72 cm3; (15)Molar Volume: 133.6 cm3; (16)Surface Tension: 59.4 dyne/cm; (17)Enthalpy of Vaporization: 64.5 kJ/mol; (18)Vapour Pressure: 4.18E-06 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 7; (21)Exact Mass: 172.05243; (22)MonoIsotopic Mass: 172.05243; (23)Topological Polar Surface Area: 37.3; (24)Heavy Atom Count: 13; (25)Complexity: 191.
People can use the following data to convert to the molecule structure.
1. SMILES:O=Cc1ccc2c(c1)ccc(O)c2
2. InChI:InChI=1/C11H8O2/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-7,13H
3. InChIKey:PRYNJOJHKYNLIS-UHFFFAOYAF
4. Std. InChI:InChI=1S/C11H8O2/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-7,13H
5. Std. InChIKey:PRYNJOJHKYNLIS-UHFFFAOYSA-N