4-Quinoxalin-2-ylphenol

HCID 787366CAS 33707-91-4
Substructure searchFind similar structures

Basic information

Standard SMILES
Oc1ccc(-c2cnc3ccccc3n2)cc1
InChIKey
QGECDAQWBBZAAZ-UHFFFAOYSA-N
Molecular formula
C14H10N2O
Average molar mass
222.24 g/mol
Monoisotopic mass
222.07931294

Names & identifiers

Preferred name
4-Quinoxalin-2-ylphenol
IUPAC
4-quinoxalin-2-ylphenol
English name
4-QUINOXALIN-2-YLPHENOL
Molecular formula
C14H10N2O
Molecular weight
222.24

Names & synonyms

4-quinoxalin-2-ylphenol4-(quinoxalin-2-yl)phenol33707-91-4Phenol, 4-(2-quinoxalinyl)-MFCD00117343CHEMBL17308604-(2-Quinoxalinyl)phenol2-(4-Hydroxyphenyl)quinoxaline4-Chinoxalin-2-yl-phenolCambridge id 5162729Oprea1_684788Oprea1_757825
Show more names
4-(Quinoxalin-2-yl)phenol ,97%
CBDivE_010896MLS001143382SCHEMBL1160811DTXSID401333339HMS1578G20HMS2797A15ALBB-024059BDBM50245730

Database identifiers

CAS
33707-91-4
PubChem CID
787366
DTXSID
DTXSID401333339
ChEMBL
CHEMBL1730860
Nikkaji
J2.832.827C

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
46 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
17

Experimental & physicochemical properties

Solubility26.9 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
204 °C · 204 °C
Boiling point
408.5 · 408.5±35.0 °C(Predicted)
Density
1.279 · 1.279±0.06 g/cm3(Predicted)
pka
8.44 · 8.44±0.15(Predicted)
Risk Statements
22 · 22-37/38-41
Safety Statements
26 · 26-39

Safety & regulation

Safety data

hs_code
29334900
risk_code
22-37/38-41
safety_code
26-39

Chemistry & industry

Upstream & downstream products

Suppliers8 total

Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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