Basic information
- Name:
Quinoline,6-methyl-5-nitro-
- CAS No.:
23141-61-9
- Molecular Structure:
- Formula:
- C10H8N2O2
- Molecular Weight:
- 188.18
- Synonyms:
- 5-Nitro-6-methylquinoline;
- Density:
- 1.298 g/cm3
- Melting Point:
- 118 °C
- Boiling Point:
- 330.5 °C at 760 mmHg
- Flash Point:
- 153.7 °C
- Hazard Symbols:
Xn- Risk Codes:
- 68-41-37/38-22
- Safety Description:
- 26-36/37/39-39 Details
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Specification
The Quinoline,6-methyl-5-nitro-, with the CAS registry number of 23141-61-9, is also known as 5-Nitro-6-methylquinoline. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Quinolines. Its EINECS registry number is 245-447-4. This chemical's molecular formula is C10H8N2O2 and molecular weight is 188.18. What's more, its systematic name is 6-Methyl-5-nitroquinoline. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the Quinoline,6-methyl-5-nitro- are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 34.02; (6)ACD/BCF (pH 7.4): 34.14; (7)ACD/KOC (pH 5.5): 434.12; (8)ACD/KOC (pH 7.4): 435.62; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 53.55 cm3; (15)Molar Volume: 144.8 cm3; (16)Surface Tension: 57.1 dyne/cm; (17)Density: 1.298 g/cm3; (18)Flash Point: 153.7 °C; (19)Enthalpy of Vaporization: 55.03 kJ/mol; (20)Boiling Point: 330.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000318 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce 5,7-Ditro-6-methylquinoline. This reaction needs reagents HNO3 and 25 % H2SO4. The reaction time is 30 h. The yield is about 29 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing, gloves and eye/face protection. Besides, it liberates very toxic gas if Contact with acids.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1c(ccc2ncccc12)C
(2) InChI: InChI=1/C10H8N2O2/c1-7-4-5-9-8(3-2-6-11-9)10(7)12(13)14/h2-6H,1H3
(3) InChIKey: CENBTULRDDPOGR-UHFFFAOYAY