Basic information
- CAS
10557-82-1- Standard SMILES
Cc1noc(C)c1C- InChIKey
MGHKWBQZEBMFOH-UHFFFAOYSA-N- Molecular formula
- C6H9NO
- Average molar mass
- 111.14 g/mol
- Monoisotopic mass
- 111.06841391
Names & identifiers
- Preferred name
- 3,4,5-Trimethylisoxazole
- IUPAC
- 3,4,5-trimethyl-1,2-oxazole
- English name
- 3,4,5-trimethyloxazole
- Molecular formula
- C6H9NO
- Molecular weight
- 111.14
Names & synonyms
3,4,5-Trimethylisoxazole10557-82-1ISOXAZOLE, 3,4,5-TRIMETHYL-O5ZX92B98SDTXSID80902518RefChem:1065692DTXCID301330718TrimethylisoxazoleIsoxazole, trimethyl-trimethyl-1,2-oxazole3,4,5-trimethyl-1,2-oxazoleUSAF CS-1340
Show more names
3,4,5-TRIMETHYLOXAZOLE3,4,5-TRIMETHYL-ISOXAZOLEBRN 0107040UNII-O5ZX92B98SISOXAZOLE, TRIMETHYSCHEMBL124864-27-00-00988 (Beilstein Handbook Reference)SCHEMBL352211
Database identifiers
- CAS
10557-82-1- PubChem CID
- 25375
- DTXSID
DTXSID80902518- UNII
- O5ZX92B98S
- EC Number
- 177-361-7
- Nikkaji
- J45.082K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 84.6
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 3 °C · 3 °C
- Boiling point
- 111 °C · 111 °C(Press: 75 Torr)
- Density
- 0.981 g/cm3 · 0.981 g/cm3
- pka
- -1 · -1.00±0.28(Predicted)
- CAS DataBase Reference
- 10557 · 10557-82-1
- FDA UNII
- 5 ZX92B98S · O5ZX92B98S
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海平创化工科技有限公司15001988657 15802146997 · [email protected]
上海化鑫微医药科技有限公司18019176997 18019176997 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…