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3 5-Dimethylisoxazole

CAT: 0286-D41760-01Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-D41760-01Size:25 g
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CAS Number
300-87-8
UN Code
UN1993
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00003156
Hazard Statement
H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
Other Statements
EUH018 In use may form flammable/explosive vapour-air mixture
DOT Name
Flammable Liquids, N.O.S.
DOT Classification
Class 3
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

3,5-Dimethylisoxazole
CAS Number300-87-8
PubChem CID9312
IUPAC Name3,5-dimethyl-1,2-oxazole
Molecular FormulaC5H7NO
Molecular Weight97.12
XLogP1.2
Topological Polar Surface Area26
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity65
SMILES
CC1=CC(=NO1)C
InChI
InChI=1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3
InChIKey
FICAQKBMCKEFDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dimethylisoxazole
CAS: 300-87-8
CID: 9312
Formula: C5H7NO
MW: 97.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight97.12
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass97.052763847
Monoisotopic Mass97.052763847
Topological Polar Surface Area26 Ų
Heavy Atom Count7
Formal Charge0
Complexity65.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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