Basic information
- CAS
23012-11-5- Standard SMILES
Cc1cnc(C)o1- InChIKey
NSAUQTCATRWAJC-UHFFFAOYSA-N- Molecular formula
- C5H7NO
- Average molar mass
- 97.12 g/mol
- Monoisotopic mass
- 97.05276385
Overview
2,5-Dimethyloxazole is an oxazole.
Names & identifiers
- Preferred name
- 2,5-Dimethyloxazole
- IUPAC
- 2,5-dimethyl-1,3-oxazole
- English name
- 2,5-dimethyloxazole
- Molecular formula
- C5H7NO
- Molecular weight
- 97.12
Names & synonyms
2,5-Dimethyloxazole23012-11-52,5-dimethyl-1,3-oxazoleOxazole, 2,5-dimethyl-Oxazole, 2,5-dimethylEINECS 245-380-0UNII-9N2TP6H91D9N2TP6H91DDTXSID80177567RefChem:82965DTXCID40100058245-380-0
Show more names
NSAUQTCATRWAJC-UHFFFAOYSA-N2,5-dimethyl-oxazoleMFCD18250011SCHEMBL74349SCHEMBL268792SCHEMBL5536350SCHEMBL5537140CHEBI:195691
Database identifiers
- CAS
23012-11-5- PubChem CID
- 89961
- DTXSID
DTXSID80177567- ChEBI
CHEBI:195691- UNII
- 9N2TP6H91D
- EC Number
- 245-380-0
- Nikkaji
- J318.382C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 65.1
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Boiling Point117.00 to 118.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Boiling point
- 181.64 °C · 181.64°C (rough estimate)
- Density
- 0.9958 · 0.9958
- refractive index
- 1.4385 · 1.4385
- LogP
- 0.999 · 0.999 (est)
- FDA UNII
- 9 N2TP6H91D · 9N2TP6H91D
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
Danger
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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Upstream & downstream products
Downstream products
Suppliers8 total
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
BOC Sciences[email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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