quinoxaline(CAS No. 91-19-0)

quinoxaline C8H6N2 (cas 91-19-0) Molecular Structure

91-19-0 Structure

Identification and Related Records

【Name】
quinoxaline
【CAS Registry number】
91-19-0
【Synonyms】
1,4-Benzodiazine
【EINECS(EC#)】
202-047-4
【Molecular Formula】
C8H6N2 (Products with the same molecular formula)
【Molecular Weight】
130.15
【Inchi】
InChI=1/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
【InChIKey】
XSCHRSMBECNVNS-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C2C(=C1)N=CC=N2
【MOL File】
91-19-0.mol

Chemical and Physical Properties

【Appearance】
yellow solid
【Density】
1.124
【Melting Point】
29-34℃
【Boiling Point】
220-223℃
【Refractive Index】
1.6231 (20 C)
【Flash Point】
98℃
【Water】
SOLUBLE
【Solubilities】
Soluble
【Stability】
No data.
【HS Code】
29339990
【Storage temp】
Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.
【Computed Properties】
Molecular Weight:130.14664 [g/mol]
Molecular Formula:C8H6N2
XLogP3:1.3
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:130.053098
MonoIsotopic Mass:130.053098
Topological Polar Surface Area:25.8
Heavy Atom Count:10
Formal Charge:0
Complexity:99.8
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 】
S26;S36
【Hazard Note】
Irritant
【Transport】
25kgs

Use and Manufacturing

【Usage】
Used in the production of used as dyes, pharmaceuticals and antibiotics.

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
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Telephone:86-573-85280080
Shanghai Forever Synthesis Co.,Ltd.
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Business Type:Distributor/Wholesaler
Telephone:86-21-61124658
Shijiazhuang Sdyano Fine Chemical Co., Ltd
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Business Type:Manufacturer
Telephone:86-311-80800737

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