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6-Phenoxypyridine-3-carboxaldehyde

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Name

6-Phenoxypyridine-3-carboxaldehyde

EINECS N/A
CAS No. 173282-69-4 Density 1.207 g/cm3
PSA 39.19000 LogP 2.68640
Solubility N/A Melting Point 100-102°C
Formula C12H9NO2 Boiling Point 344.8 °C at 760 mmHg
Molecular Weight 199.209 Flash Point 162.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-24-25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 173282-69-4 (6-PHENOXYNICOTINALDEHYDE) Hazard Symbols IrritantXi
Synonyms

2-Phenoxypyridine-5-carboxaldehyde;3-Formyl-6-phenyloxypyridine;6-Phenoxynicotinaldehyde;6-Phenoxypyridine-3-carboxaldehyde;

Article Data 6

6-Phenoxypyridine-3-carboxaldehyde Specification

The systematic name about this chemical is 6-phenoxypyridine-3-carbaldehyde. The CAS register number of 6-Phenoxypyridine-3-carboxaldehyde is 173282-69-4. It also can be called as 2-Phenoxypyridine-5-carboxaldehyde.

Physical properties about 6-Phenoxypyridine-3-carboxaldehyde are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.14; (6)ACD/BCF (pH 7.4): 20.14; (7)ACD/KOC (pH 5.5): 298.57; (8)ACD/KOC (pH 7.4): 298.58; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 57.54 cm3; (15)Molar Volume: 164.9 cm3; (16)Surface Tension: 49.5 dyne/cm; (17)Density: 1.207 g/cm3; (18)Flash Point: 162.3 °C; (19)Enthalpy of Vaporization: 58.88 kJ/mol; (20)Boiling Point: 344.8 °C at 760 mmHg; (21)Vapour Pressure: 6.41E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1.SMILES: O=Cc2cnc(Oc1ccccc1)cc2
2.InChI: InChI=1/C12H9NO2/c14-9-10-6-7-12(13-8-10)15-11-4-2-1-3-5-11/h1-9H 
3.InChIKey: SOPOQXNWJNVZMI-UHFFFAOYAU
4.Std. InChI: InChI=1S/C12H9NO2/c14-9-10-6-7-12(13-8-10)15-11-4-2-1-3-5-11/h1-9H

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