Basic information
- Name:
4-Quinolinol,7-methoxy-
- Superlist Name:
- 7-Methoxy-4-quinolinol
- CAS No.:
82121-05-9
- Molecular Structure:
- Formula:
- C10H9NO2
- Molecular Weight:
- 175.18
- Synonyms:
- 4-Hydroxy-7-methoxyquinoline;
- Density:
- 1.258 g/cm3
- Melting Point:
- 75-77 °C
- Boiling Point:
- 351.846 °C at 760 mmHg
- Flash Point:
- 166.591 °C
- Hazard Symbols:
Xi,
Xn- Risk Codes:
- 22-37/38-41
- Safety Description:
- 26-36/37/39 Details
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Specification
The IUPAC name of 7-Methoxy-4-quinolinol is 7-methoxy-1H-quinolin-4-one. With the CAS registry number 82121-05-9, it is also named as 4-Quinolinol, 7-methoxy-. The product's categories are Alkoxyquinolines; Hydroxyquinolines; Quinolines; Chemical Synthesis; Heterocyclic Building Blocks; Heterocyclic Building Blocks Building Blocks; New Products for Chemical Synthesis.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.65; (11)Molar Refractivity: 50.747 cm3; (12)Molar Volume: 139.205 cm3; (13)Polarizability: 20.118×10-24 cm3; (14)Surface Tension: 53.759 dyne/cm; (15)Enthalpy of Vaporization: 62.015 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C; (17)Rotatable Bond Count: 1; (18)Tautomer Count: 3; (19)Exact Mass: 175.063329; (20)MonoIsotopic Mass: 175.063329; (21)Topological Polar Surface Area: 38.3; (22)Heavy Atom Count: 13; (23)Complexity: 237.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to respiratory system and skin. And it also has risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:COc1ccc2c(ccnc2c1)O
2. InChI:InChI=1/C10H9NO2/c1-13-7-2-3-8-9(6-7)11-5-4-10(8)12/h2-6H,1H3,(H,11,12)
3. InChIKey:NQUPXNZWBGZRQX-UHFFFAOYAK
