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CAS No.: | 21440-97-1 |
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Name: | BROFOXINE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C10H10BrNO2 |
Molecular Weight: | 256.099 |
Synonyms: | 6-Bromo-4,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one;FI 6820; |
EINECS: | 244-389-7 |
Density: | 1.468 g/cm3 |
Melting Point: | 203-205oC |
Boiling Point: | 269.8 °C at 760 mmHg |
Flash Point: | 117 °C |
Appearance: | White or almost-white crystalline powder |
Hazard Symbols: | Xi |
PSA: | 38.33000 |
LogP: | 3.38430 |
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
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 950mg/kg (950mg/kg) | British Patent Document. Vol. #1135899, |
Safety Information of 2H-3,1-Benzoxazin-2-one,6-bromo-1,4-dihydro-4,4-dimethyl- (CAS NO.21440-97-1):
Hazard Codes: Xi
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- .