Isoxazole, 5-phenyl

Modify Date: 2025-08-27 17:39:43

Isoxazole, 5-phenyl Structure
Isoxazole, 5-phenyl structure
Common Name Isoxazole, 5-phenyl
CAS Number 1006-67-3 Molecular Weight 145.15800
Density 1.11g/cm3 Boiling Point 279.6ºC at 760mmHg
Molecular Formula C9H7NO Melting Point 22 °C
MSDS N/A Flash Point 127.4ºC

 Names

Name 5-phenyl-1,2-oxazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.11g/cm3
Boiling Point 279.6ºC at 760mmHg
Melting Point 22 °C
Molecular Formula C9H7NO
Molecular Weight 145.15800
Flash Point 127.4ºC
Exact Mass 145.05300
PSA 26.03000
LogP 2.34160
Vapour Pressure 0.00675mmHg at 25°C
Index of Refraction 1.543
InChIKey BXQDLEHCXQQSCH-UHFFFAOYSA-N
SMILES c1ccc(-c2ccno2)cc1
Storage condition 0-10°C

 Safety Information

Hazard Codes Xi: Irritant;
HS Code 2934999090

 Synthetic Route

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Isoxazole, 5-phenylBioassay

View more

Name: Inhibition of recombinant human IDO1 expressed in Escherichia coli Rosetta (DE3) cell...
Source: ChEMBL
Target: Indoleamine 2,3-dioxygenase 1
External Id: CHEMBL4834557
Name: Inhibition of Cytochrome P450 1A2; not tested
Source: ChEMBL
Target: Cytochrome P450 1A2
External Id: CHEMBL717306
Name: Inhibition of Cytochrome P450 3A4; not tested
Source: ChEMBL
Target: Cytochrome P450 3A4
External Id: CHEMBL666010
Name: Inhibition of Cytochrome P450 2C9; not tested
Source: ChEMBL
Target: Cytochrome P450 2C9
External Id: CHEMBL661225
Name: Inhibitory activity against 20-HETE production from arachidonic acid using human rena...
Source: ChEMBL
Target: N/A
External Id: CHEMBL615343
Name: Inhibition of Cytochrome P450 19A1; not tested
Source: ChEMBL
Target: Aromatase
External Id: CHEMBL664323
Name: Inhibition of Cytochrome P450 2D6; not tested
Source: ChEMBL
Target: Cytochrome P450 2D6
External Id: CHEMBL663534
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 Synonyms

5-Phenyl-isoxazole
5-Phenyl-isoxazol
5-Phenylisoxazol (III)
Isoxazole,5-phenyl
5-Phenyl-isooxazol
5-Phenyl-1,2-oxazol
1-(Isoxazol-5-yl)benzene
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