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6-Hydroxy-2-Naphthaldehyde

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Name

6-Hydroxy-2-Naphthaldehyde

EINECS N/A
CAS No. 78119-82-1 Density 1.288 g/cm3
PSA 37.30000 LogP 2.35790
Solubility Soluble in hot methanol Melting Point 178-180 °C
Formula C11H8O2 Boiling Point 373.4 °C at 760 mmHg
Molecular Weight 172.183 Flash Point 159.4 °C
Transport Information N/A Appearance light yellow crystalline powder
Safety Risk Codes 52
Molecular Structure Molecular Structure of 78119-82-1 (6-Hydroxy-2-naphthaldehyde) Hazard Symbols IrritantXi
Synonyms

2-Hydroxyethylmorpholine;

 

6-Hydroxy-2-Naphthaldehyde Specification

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

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