Product Name

  • Name

    BROFOXINE

  • EINECS 244-389-7
  • CAS No. 21440-97-1
  • Article Data12
  • CAS DataBase
  • Density 1.468 g/cm3
  • Solubility
  • Melting Point 203-205oC
  • Formula C10H10BrNO2 
  • Boiling Point 269.8 °C at 760 mmHg
  • Molecular Weight 256.099
  • Flash Point 117 °C
  • Transport Information
  • Appearance White or almost-white crystalline powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 21440-97-1 (BROFOXINE)
  • Hazard Symbols IrritantXi
  • Synonyms 6-Bromo-4,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one;FI 6820;
  • PSA 38.33000
  • LogP 3.38430

Brofoxine Chemical Properties

Molecular Structure of 2H-3,1-Benzoxazin-2-one,6-bromo-1,4-dihydro-4,4-dimethyl- (CAS NO.21440-97-1):

IUPAC Name: 6-Bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one   
Molecular Formula: C10H10BrNO2 
Molecular Weight: 256.0959
CAS: 21440-97-1
EINECS: 244-389-7
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.554
Molar Refractivity: 55.91 cm3
Molar Volume: 174.4 cm3
Surface Tension: 38.2 dyne/cm
Density: 1.468 g/cm3
Flash Point: 117 °C
Enthalpy of Vaporization: 50.79 kJ/mol
Boiling Point: 269.8 °C at 760 mmHg
Vapour Pressure: 0.00711 mmHg at 25°C
InChI: InChI=1/C10H10BrNO2/c1-10(2)7-5-6(11)3-4-8(7)12-9(13)14-10/h3-5H,1-2H3,(H,12,13)
Smiles: c12c(C(OC(N1)=O)(C)C)cc(Br)cc2
Product Categories of 2H-3,1-Benzoxazin-2-one,6-bromo-1,4-dihydro-4,4-dimethyl- (CAS NO.21440-97-1): Active Pharmaceutical Ingredients
Classification Code: Antipsychotic

Brofoxine Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 950mg/kg (950mg/kg)   British Patent Document. Vol. #1135899,

Brofoxine Safety Profile

Safety Information of 2H-3,1-Benzoxazin-2-one,6-bromo-1,4-dihydro-4,4-dimethyl- (CAS NO.21440-97-1):
Hazard Codes: IrritantXi

Brofoxine Specification

   2H-3,1-Benzoxazin-2-one,6-bromo-1,4-dihydro-4,4-dimethyl- (CAS NO.21440-97-1). it also can be called 6-Bromo-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one ; 6-Bromo-4,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one ; 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-bromo-4,4-dimethyl-  .

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