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Substance Name: 5-Bromosalicylic acid acetate
RN: 1503-53-3
UNII: BZU1717ONV
InChIKey: VRJBEVQGJOSGOX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H7-Br-O4

Molecular Weight

  • 259.054
 
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Names and Synonyms

Name of Substance

  • 5-Bromosalicylic acid acetate

Synonyms

  • 2-(Acetyloxy)-5-bromobenzoic acid
  • 2-10-00-00064 (Beilstein Handbook Reference)
  • 2-Acetoxy-5-bromobenzoic acid
  • 5-Bromo-2-acetylsalicylic acid
  • 5-Bromoacetylsalicylic acid
  • 5-Bromosalicylic acid acetate
  • Acetyl 5-bromosalicylic acid
  • AI3-15466
  • BRN 2695058
  • Bromoaspirin
  • NSC 2400
  • Sedasprin
  • UNII-BZU1717ONV

Systematic Names

  • Benzoic acid, 2-(acetyloxy)-5-bromo-
  • Benzoic acid, 2-(acetyloxy)-5-bromo- (9CI)
  • Salicylic acid, 5-bromo-, acetate

Registry Numbers

CAS Registry Number

  • 1503-53-3

FDA UNII

  • BZU1717ONV

System Generated Number

  • 0001503533

Structure Descriptors

InChI

1S/C9H7BrO4/c1-5(11)14-8-3-2-6(10)4-7(8)9(12)13/h2-4H,1H3,(H,12,13)

InChIKey

VRJBEVQGJOSGOX-UHFFFAOYSA-N

Smiles

OC(=O)c1cc(Br)ccc1OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 650mg/kg (650mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Current Researches in Anesthesia and Analgesia. Vol. 25, Pg. 221, 1946.
rat LD50 oral 1130mg/kg (1130mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Current Researches in Anesthesia and Analgesia. Vol. 25, Pg. 221, 1946.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 60 deg C   EXP
log P (octanol-water) 2.020 (none)   EST
Water Solubility 667 mg/L   EXP
Atmospheric OH Rate Constant 8.08E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.