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Quinoxaline,5-methyl-(CAS No. 13708-12-8)

Quinoxaline,5-methyl- C9H8N2 (cas 13708-12-8) Molecular Structure

13708-12-8 Structure

Identification and Related Records

【Name】
Quinoxaline,5-methyl-
【Iupac name】
5-methylquinoxaline
【CAS Registry number】
13708-12-8
【Synonyms】
5-Methylquinoxaline
5-Methy quinoxaline
【EINECS(EC#)】
237-246-5
【Molecular Formula】
C9H8N2 (Products with the same molecular formula)
【Molecular Weight】
144.17
【Inchi】
InChI=1/C9H8N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h2-6H,1H3
【InChIKey】
CQLOYHZZZCWHSG-UHFFFAOYSA-N
【Canonical SMILES】
CC1=C2C(=CC=C1)N=CC=N2
【MOL File】
13708-12-8.mol

Chemical and Physical Properties

【Appearance】
white powder
【Density】
1.141 g/cm3
【Melting Point】
20-21 °C
【Boiling Point】
244.8 °C at 760 mmHg
【Vapour】
0.0465mmHg at 25°C
【Refractive Index】
n20/D 1.62(lit.)
【Flash Point】
108.8 °C
【Water】
freely soluble in water, organic solvents, oils
【Solubilities】
freely soluble in water, organic solvents, oils
【Computed Properties】
Molecular Weight:144.17322 [g/mol]
Molecular Formula:C9H8N2
XLogP3:2
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:144.068748
MonoIsotopic Mass:144.068748
Topological Polar Surface Area:25.8
Heavy Atom Count:11
Formal Charge:0
Complexity:136
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
26-36
【Hazard Note】

Irritant

【Safety】

Hazard Codes?of Quinoxaline,5-methyl- (CAS NO.13708-12-8):?IrritantXi
Risk Statements: 36/37/38?
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant

Supplier Location

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