3,5-Dimethylisoxazole

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Names

[ CAS No. ]:
300-87-8

[ Name ]:
3,5-Dimethylisoxazole

[Synonym ]:
2,5-dimethylisoxazole
3,5-Dimethyl-1,2-oxazole
3,5-Dimethylisoxazole
Dimexazol
3,5-Dimethyl-isoxazol
ISOXAZOLE,3,5-DIMETHYL
3,5-Dimethylisooxazole
2,4-dimethylisoxazole
3,5-Dwumetyloizoksazolu [Polish]
Isoxazole, 3,5-dimethyl-
MFCD08276492
EINECS 206-100-2

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
144.1±9.0 °C at 760 mmHg

[ Molecular Formula ]:
C5H7NO

[ Molecular Weight ]:
97.115

[ Flash Point ]:
31.1±0.0 °C

[ Exact Mass ]:
97.052765

[ PSA ]:
26.03000

[ LogP ]:
1.00

[ Vapour Pressure ]:
6.5±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.449

[ Storage condition ]:
Flammables area

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY2774200
CHEMICAL NAME :
Isoxazole, 3,5-dimethyl-
CAS REGISTRY NUMBER :
300-87-8
BEILSTEIN REFERENCE NO. :
0106324
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H7-N-O
MOLECULAR WEIGHT :
97.13

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
880 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay)
REFERENCE :
DPHFAK Dissertationes Pharmaceuticae et Pharmacologicae. (Warsaw, Poland) V.18-24, 1966-72. For publisher information, see PJPPAA. Volume(issue)/page/year: 18,19,1966

Safety Information

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
R10

[ Safety Phrases ]:
S16

[ RIDADR ]:
UN 1993 3/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
NY2774200

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
29349990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,4-Pentandione
  • 3,5-dimethyl-4H-1,2-oxazol-5-ol
  • 1H-Pyrazole,4-bromo-1-hydroxy-3,5-dimethyl-, 2-oxide
  • 2-acetyl-3-methyl-2H-azirine
  • 1-hydroxy-3,5-dimethyl-1H-pyrazole 2-oxide
  • 4,6-dimethyl-1-phenylpyrimidin-2-one
  • 3,5-dimethyl-4H-1,2-oxazol-5-amine
  • 4,6-dimethyl-1-(p-tolyl)pyrimidin-2(1H)-one
  • 2,4-Pentanedione,2,4-dioxime

DownStream

  • 3-Methyl-5-isoxazolecarbonyl chloride
  • 5-Methylisoxazole-3-carboxylic acid
  • 3,5-Dimethyl-4-isoxazolamine
  • 5-(Bromomethyl)-3-methylisoxazole
  • 2-[5-(3,5-dimethylisoxazol-4-yl)thiophen-2-yl]pyridine
  • 2-(2-thienyl)pyridine
  • 3-Methyl-1,2-oxazole-5-carboxylic acid
  • Caerulomycin A
  • 2-Propanone, 1-(3-methyl-5-isoxazolyl)- (8CI,9CI)
  • 3,5-Dimethylpyrazole

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%

Related Compounds

  • 4-Iodo-3,5-dimethylisoxazole
  • 4-cyano-3,5-dimethylisoxazole
  • 4-Amino-3,5-dimethylisoxazole
  • 4-Bromo-3,5-dimethylisoxazole
  • 4-phenyl-3,5-dimethylisoxazole
  • 4-Chloro-3,5-dimethylisoxazole