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2(1H)-Quinoxalinone,7-chloro-3,4-dihydro-

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Name

2(1H)-Quinoxalinone,7-chloro-3,4-dihydro-

EINECS N/A
CAS No. 66367-05-3 Density 1.335 g/cm3
PSA 41.13000 LogP 1.98000
Solubility N/A Melting Point 214-215 °C (decomp)(Solv: ethanol (64-17-5))
Formula C8H7ClN2O Boiling Point 386.8 °C at 760 mmHg
Molecular Weight 182.609 Flash Point 187.7 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 66367-05-3 (7-CHLORO-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE) Hazard Symbols N/A
Synonyms

NSC 142167;

Article Data 5

2(1H)-Quinoxalinone,7-chloro-3,4-dihydro- Specification

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

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