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CAS No.: | 66367-05-3 |
---|---|
Name: | 7-CHLORO-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H7ClN2O |
Molecular Weight: | 182.609 |
Synonyms: | NSC 142167; |
Density: | 1.335 g/cm3 |
Melting Point: | 214-215 °C (decomp)(Solv: ethanol (64-17-5)) |
Boiling Point: | 386.8 °C at 760 mmHg |
Flash Point: | 187.7 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 41.13000 |
LogP: | 1.98000 |
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The 2(1H)-Quinoxalinone,7-chloro-3,4-dihydro-, with the CAS registry number 66367-05-3, is also known as 7-Chloro-3,4-dihydro-1H-quinoxalin-2-one. This chemical's molecular formula is C8H7ClN2O and molecular weight is 182.607. Its systematic name is called 7-chloro-3,4-dihydroquinoxalin-2(1H)-one.
Physical properties of 2(1H)-Quinoxalinone,7-chloro-3,4-dihydro-: (1)ACD/LogP: 1.51; (2)ACD/LogD (pH 5.5): 1.51; (3)ACD/LogD (pH 7.4): 1.51; (4)ACD/BCF (pH 5.5): 8.32; (5)ACD/BCF (pH 7.4): 8.33; (6)ACD/KOC (pH 5.5): 158.47; (7)ACD/KOC (pH 7.4): 158.75; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Index of Refraction: 1.58; (11)Molar Refractivity: 45.53 cm3; (12)Molar Volume: 136.7 cm3; (13)Surface Tension: 43.5 dyne/cm; (14)Density: 1.335 g/cm3; (15)Flash Point: 187.7 °C; (16)Enthalpy of Vaporization: 63.58 kJ/mol; (17)Boiling Point: 386.8 °C at 760 mmHg; (18)Vapour Pressure: 3.45E-06 mmHg at 25°C.
Uses of 2(1H)-Quinoxalinone,7-chloro-3,4-dihydro-: it can be used to produce 4-acetyl-7-chloro-3,4-dihydro-1H-quinoxalin-2-one at temperature of 100 °C. The yield is about 41%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc1c(NC(=O)CN1)c2
(2)InChI: InChI=1/C8H7ClN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12)
(3)InChIKey: FYSLFQDLMDRXNP-UHFFFAOYAZ