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Substance Name: 1,3-Xylene, 2-allyloxy-5-bromo-
RN: 100125-86-8
InChIKey: HOODMSZVHBIEJT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-Br-O

Molecular Weight

  • 241.1267
 
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Names and Synonyms

Synonyms

  • 2-Allyloxy-5-bromo-1,3-xylene
  • 4-06-00-03123 (Beilstein Handbook Reference)
  • 4-Allyloxy-1-bromo-3,5-dimethylbenzene
  • BRN 2521691

Systematic Name

  • 1,3-Xylene, 2-allyloxy-5-bromo-

Registry Numbers

CAS Registry Number

  • 100125-86-8

System Generated Number

  • 0100125868

Structure Descriptors

InChI

1S/C11H13BrO/c1-4-5-13-11-8(2)6-10(12)7-9(11)3/h4,6-7H,1,5H2,2-3H3

InChIKey

HOODMSZVHBIEJT-UHFFFAOYSA-N

Smiles

Cc1cc(cc(c1OCC=C)C)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 650mg/kg (650mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 201, 1960.