5-(BROMOMETHYL)-3-(4-CHLOROPHENYL)ISOXAZOLE

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Names

[ CAS No. ]:
5300-92-5

[ Name ]:
5-(BROMOMETHYL)-3-(4-CHLOROPHENYL)ISOXAZOLE

Chemical & Physical Properties

[ Density]:
1.582g/cm3

[ Boiling Point ]:
375.4ºC at 760mmHg

[ Molecular Formula ]:
C10H7BrClNO

[ Molecular Weight ]:
272.52600

[ Flash Point ]:
180.9ºC

[ Exact Mass ]:
270.94000

[ PSA ]:
26.03000

[ LogP ]:
3.88990

[ Index of Refraction ]:
1.598

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY2300000
CHEMICAL NAME :
Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)-
CAS REGISTRY NUMBER :
5300-92-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H7-Br-Cl-N-O
MOLECULAR WEIGHT :
272.54
WISWESSER LINE NOTATION :
T5NOJ C1E ER DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6081 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 9,431,1966

Safety Information

[ HS Code ]:
2934999090

Synthetic Route

Precursor & DownStream

Precursor

  • 3-Bromopropyne
  • 4-Chlorobenzenecarbaldehyde oxime
  • (NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine
  • 4-Chlorobenzaldehyde

DownStream

  • [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine

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-Isoxazolecarboxylicacid,5-(bromomethyl)-3-(4-chlorophenyl)-,methylester(9CI)
  • 5-(BROMOMETHYL)-3-(4-METHOXYPHENYL)ISOXAZOLE
  • 5-(BROMOMETHYL)-3-(4-FLUOROPHENYL)ISOXAZOLE
  • 5-(BROMOMETHYL)-3-(4-BROMOPHENYL)ISOXAZOLE
  • 5-CHLORO-3-(4-CHLOROPHENYL)ISOXAZOLE
  • 5-Amino-3-(4-chlorophenyl)isoxazole
  • 5,6-Dihydroxy-2-{[(prop-2-en-1-yloxy)carbonyl]amino}cyclooctane-1-carboxylic acid
  • Benzyl 4-oxo-1-oxa-8-azaspiro[4.5]dec-2-ene-8-carboxylate
  • benzyl N-[2-(2-hydroxyethoxy)phenyl]carbamate
  • benzyl N-[3,4-bis(hydroxymethyl)phenyl]carbamate
  • benzyl N-[(2-hydroxy-3-methoxyphenyl)methyl]carbamate
  • benzyl 4-(hydroxymethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
  • benzyl 3-(hydroxymethyl)-3-(1H-pyrazol-1-yl)azetidine-1-carboxylate
  • tert-butyl N-(1-cyclopropyl-1-oxohex-5-en-2-yl)carbamate
  • benzyl 3-hydroxy-3-(1-methyl-1H-pyrazol-5-yl)azetidine-1-carboxylate
  • benzyl 3-hydroxy-1-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-6-carboxylate
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