2,3-dimethylquinoxaline

• ChemBase ID: 90875
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: n1c(c(nc2ccccc12)C)C
• Canonical SMILES: Cc1nc2ccccc2nc1C
• InChI: InChI=1S/C10H10N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-6H,1-2H3
• InChIKey: FKHNZQFCDGOQGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethylquinoxaline
• IUPAC Traditional name: quinoxaline, 2,3-dimethyl-; 2,3-dimethylquinoxaline
• Synonyms: 2,3-Dimethylquinoxaline; 2,3-DIMETHYL QUINOXALINE; 2,3-Dimethylquinoxaline; 2,3-二甲基喹喔啉

Database IDs

• CAS Number: 2379-55-7
• EC Number: 219-162-0
• MDL Number: MFCD00006728
• Beilstein Number: 114832
• PubChem SID: 24893278; 162077584; 24902062
• PubChem CID: 16925
• Flavis Number: 14.108

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5614601
• LogD (pH = 7.4): 1.5618142
• Log P: 1.5618187
• Molar Refractivity: 46.6334 cm^3
• Polarizability: 19.6475 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102-107°C; 102-107°C; 104-108 °C(lit.)
• Flash Point: >110°C

Safety Information

• Storage Warning: Irritant
• RTECS: VD1960000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-37/38-41; 36/37/38
• Safety Statements: 26-36/37/39; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H318-H335; H315-H319-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥97%; 97%
• Empirical Formula (Hill Notation): C10H10N2

DETAILS

MP Biomedicals - 05203282

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D184977

Packaging
5 g in glass bottle

Sigma Aldrich - W512109

Packaging
1 sample in glass bottle