3D Mol Similar

QUINOXALINE-5-CARBOXYLIC ACID

: Iupac Name：quinoxaline-5-carboxylic acid; CAS No.: 6924-66-9; Molecular Weight：174.159; Modify Date.: 2022-11-25 07:43; Introduction: quinoxaline-5-carboxylic acid (cas# 6924-66-9) is a useful research chemical. QUINOXALINE-5-CARBOXYLIC ACIDSupplier View more+

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1. Names and Identifiers

: 1.1 Name; QUINOXALINE-5-CARBOXYLIC ACID; 1.2 Synonyms; 1,4-benzpyrazine-8-carboxylic acid 5-Carboxyquinoxaline 5-Carboxyquinoxaline, 5-Carboxy-1,4-benzodiazine AKOS BBS-00005345 CHEMBRDG-BB 4402592 QUINOXALINE-5-CARBOXYLIC ACID quinoxaline-5-carboxylic acid(SALTDATA: FREE)

1.3 CAS No.: 6924-66-9

1.4 CID: 776833

1.5 Molecular Formula: C9H6N2O2 (isomer)

1.6 Inchi: InChI=1S/C9H6N2O2/c12-9(13)6-2-1-3-7-8(6)11-5-4-10-7/h1-5H,(H,12,13)

1.7 InChIkey: QLZNISOPACYKOR-UHFFFAOYSA-N

1.8 Canonical Smiles: C1=CC(=C2C(=C1)N=CC=N2)C(=O)O

1.9 Isomers Smiles: C1=CC(=C2C(=C1)N=CC=N2)C(=O)O

2. Properties

2.1 Density: 1.421

2.1 Boiling point: 394.8°C at 760 mmHg

2.1 Refractive index: 1.697

2.1 Flash Point: 192.6°C

2.1 Precise Quality: 174.04300

2.1 PSA: 63.08000

2.1 logP: 1.32800

2.1 Appearance: Not Available

2.2 Color/Form: Brown

2.3 pKa: -1.16±0.10(Predicted)

3. Use and Manufacturing

3.1 Usage: quinoxaline-5-carboxylic acid (cas# 6924-66-9) is a useful research chemical. QUINOXALINE-5-CARBOXYLIC ACIDSupplier

4. Safety and Handling

4.1 Hazard Codes: Xi

4.1 Hazard Class: IRRITANT

5. Synthesis Route

6924-66-9Total: 1 Synthesis Route

131543-46-9

603-81-6 101 Suppliers

6924-66-9 25 Suppliers

Literatures:
Organic Magnetic Resonance, , vol. 14, # 4 p. 300 - 304
Yield: null

6. Precursor and Product

precursor:

603-81-6

131543-46-9

product :

717871-86-8

7. Computational chemical data

Molecular Weight: 174.159g/mol
Molecular Formula: C₉H₆N₂O₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 174.042927438
Monoisotopic Mass: 174.042927438
Complexity: 208
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 63.1
Heavy Atom Count: 13
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYBzMAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAACAAADAjBngQ8yLIIEgCoAzT3TACCgCQ1EiAI2CE4fNgIZvrAlZGUcYhmwAHI2ce8yCCOAAAAQAACACAAAACAAAQAQAAAAAAAAA==

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Quinoxaline-5-carboxylic acid

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2023/09/27

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quinoxaline-5-carboxylic acid