2(1H)-Quinoxalinone,3-methyl- supplier

Name
3-METHYL-2-QUINOXALINOL
EINECS 237-807-4
CAS No. 14003-34-0
Article Data117
CAS DataBase
Density 1.26g/cm³
Solubility
Melting Point 246-248 °C(lit.)
Formula C₉H₈N₂O
Boiling Point 345.6 °C at 760 mmHg
Molecular Weight 160.175
Flash Point 162.8 °C
Transport Information
Appearance brown powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Hydroxy-3-methylquinoxaline;3-Methyl-1H-quinoxalin-2-one;3-Methyl-2(1H)-quinoxalinone;3-Methyl-2-hydroxyquinoxaline;3-Methyl-2-quinoxalinol;3-Methyl-2-quinoxalinone;3-Methyl-2-quinoxalone;NSC 149824;NSC 17798;NSC38589;
PSA 46.01000
LogP 1.64380

2(1H)-Quinoxalinone,3-methyl- Specification

The 2(1H)-Quinoxalinone,3-methyl-, with CAS registry number 14003-34-0, has the systematic name of 3-methylquinoxalin-2(1H)-one. Besides this, it is also called 3-Methyl-2-quinoxalinol. This chemical is a kind of brown powder. When use it, please avoid contact with skin and eyes. What's more, its EINECS is 237-807-4.

Physical properties of 2(1H)-Quinoxalinone,3-methyl-: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.05; (6)ACD/BCF (pH 7.4): 2.02; (7)ACD/KOC (pH 5.5): 58.19; (8)ACD/KOC (pH 7.4): 57.37; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 45.69 cm³; (15)Molar Volume: 126.1 cm³; (16)Polarizability: 18.11×10^-24cm³; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.26 g/cm³; (19)Flash Point: 162.8 °C; (20)Enthalpy of Vaporization: 61.3 kJ/mol; (21)Boiling Point: 345.6 °C at 760 mmHg; (22)Vapour Pressure: 3.04E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-oxo-propionic acid and benzene-1,2-diamine. This reaction will need reagent water.

Uses of 2(1H)-Quinoxalinone,3-methyl-: it can be used to produce 2-chloro-3-methyl-quinoxaline. This reaction will need reagent POCl₃.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1Nc2c(\N=C\1C)cccc2
(2)InChI: InChI=1/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H,1H3,(H,11,12)
(3)InChIKey: BMIMNRPAEPIYDN-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H,1H3,(H,11,12)
(5)Std. InChIKey: BMIMNRPAEPIYDN-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	30mg/kg (30mg/kg)		National Technical Information Service. Vol. AD277-689,

Product Name

3-METHYL-2-QUINOXALINOL

2(1H)-Quinoxalinone,3-methyl- Specification

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