-
Name
1,6-Naphthyridine
- EINECS
- CAS No. 253-72-5
- Article Data17
- CAS DataBase
- Density 1.183 g/cm3
- Solubility
- Melting Point 231-233°C
- Formula C8H6N2
- Boiling Point 267.3 °C at 760 mmHg
- Molecular Weight 130.15
- Flash Point 118.3 °C
- Transport Information
- Appearance
- Safety 26-39
- Risk Codes 41
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 1,6-Diazanaphthalene;1,6-Pyridopyridine;Pyridino[4,3-b]pyridine;CHEBI:36627;AC1Q2ARU;AC1Q4WYG;
- PSA 25.78000
- LogP 1.62980
1,6-Naphthyridine Specification
The 1,6-Naphthyridine with CAS registry number of 253-72-5 is also known as 1,6-Diazanaphthalene. The IUPAC name is 1,6-Naphthyridine. It belongs to product categories of Pyridine. This chemical may cause inflammation to the skin or other mucous membranes. In addition, the formula is C8H6N2 and the molecular weight is 130.15.
Physical properties about 1,6-Naphthyridine are: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.58; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1.63; (6)ACD/BCF (pH 7.4): 1.66; (7)ACD/KOC (pH 5.5): 49.04; (8)ACD/KOC (pH 7.4): 49.98; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 40.27 cm3; (15)Molar Volume: 109.9 cm3; (16)Polarizability: 15.96×10-24cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.183 g/cm3; (19)Flash Point: 118.3 °C; (20)Enthalpy of Vaporization: 48.49 kJ/mol; (21)Boiling Point: 267.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0136 mmHg at 25 °C.
Uses of 1,6-Naphthyridine: it is used to produce 6-acetyl-5-(2-oxo-propyl)-5,6-dihydro-[1,6]naphthyridine by reaction of acetic acid and propan-2-one. The reaction occurs at ambient temperature and the yield is about 62.2%.
![1,6-Naphthyridine is used to produce 6-acetyl-5-(2-oxo-propyl)-5,6-dihydro-[1,6]naphthyridine by reaction with acetic acid and propan-2-one.](/UserFilesUpload/Uses of 1,6-Naphthyridine(1).png)
You can still convert the following datas into molecular structure:
1. SMILES: n1cccc2c1ccnc2
2. InChI: InChI=1/C8H6N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-6H
3. InChIKey: VSOSXKMEQPYESP-UHFFFAOYAB
4. Std. InChI: InChI=1S/C8H6N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-6H
5. Std. InChIKey: VSOSXKMEQPYESP-UHFFFAOYSA-N
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