Basic information
- CAS
1008-74-8- Standard SMILES
Cc1cc(-c2ccccc2)no1- InChIKey
UCGIIOJWRLQBRP-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Names & identifiers
- Preferred name
- 5-Methyl-3-phenyl-1,2-oxazole
- IUPAC
- 5-methyl-3-phenyl-1,2-oxazole
- English name
- Isoxazole, 5-methyl-3-phenyl- (7CI,8CI,9CI)
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
5-methyl-3-phenyl-1,2-oxazoleRefChem:537095849-689-75-Methyl-3-phenylisoxazole1008-74-8Isoxazole, 5-methyl-3-phenyl-Isoxazole, 5-methyl-3-phenyl- (7CI,8CI,9CI)5-methyl-3-phenyl-isoxazoleNSC-744823-phenyl-5-methylisoxazoleNSC744822YU45G8ZUK
Show more names
Isoxazole,5-methyl-3-phenyl-
SCHEMBL314833SCHEMBL354043SCHEMBL3751941UCGIIOJWRLQBRP-UHFFFAOYSA-DTXSID50143517BAA00874I+/--Methyl-I(3)-phenyl-isoxazolMFCD00234631
Database identifiers
- CAS
1008-74-8- PubChem CID
- 136803
- DTXSID
DTXSID50143517- UNII
- 2YU45G8ZUK
- EC Number
- 849-689-7
- Nikkaji
- J112.935J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- FDA UNII
- 2 YU45G8ZUK · 2YU45G8ZUK
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
郑州凡尔赛特化工有限公司0371-67991738 13783628208 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
3 records
Compound notes
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