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Bromadiolone

Molecular FormulaC₃₀H₂₃BrO₄
Average mass527.405 Da
Monoisotopic mass526.077942 Da
ChemSpider ID10606098

More details:

Featured data source

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

249-205-9 [EINECS]

28772-56-7 [RN]

2H-1-Benzopyran-2-one, 3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy- [ACD/Index Name]

3-[3-(4'-Brom-4-biphenylyl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-chromen-2-on [German] [ACD/IUPAC Name]

3-[3-(4'-Brombiphenyl-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-chromen-2-on [German]

3-[3-(4'-Bromo[1,1'-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one

3-[3-(4'-Bromo-4-biphenylyl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-chromen-2-one [ACD/IUPAC Name]

3-[3-(4'-Bromo-4-biphénylyl)-3-hydroxy-1-phénylpropyl]-4-hydroxy-2H-chromén-2-one [French] [ACD/IUPAC Name]

3-[3-(4'-Bromobiphenyl-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-chromen-2-one

3-[a-[p-(p-Bromophenyl)-b-hydroxyphenethyl]benzyl]-4-hydroxycoumarin

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Bromadiolon

Bromadiolone [Wiki]

Bromodiolone

Broprodifacoum

J2FR050NM5

MFCD00128053 [MDL number]

UNII:J2FR050NM5

(Hydroxy-4 coumarinyl 3)-3 phenyl-3 (bromo-4 biphenylyl-4)-1 propanol-1

2H-1-Benzopyran-2-one, 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-

3-(1-Phenyl-3-hydroxy-3-(4-(4-bromophenyl)pheny)propyl)-4-hydroxy-coumarin

3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)3-hydroxy-1-phenylpropyl)-4-hydroxy-2H-1-benzopyran-2-one

3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-2H-1-benzopyran-2-one

3-(3-(4'-Bromo-(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxycoumarin

3-(3-(4'-Bromo-(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-coumarin

3-(3-(4'-Bromo-[1,1'-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-2H-chromen-2-one

3-(3-(4'-Bromobiphenyl-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxycoumarin

3-(3-{4'-bromo-[1,1'-biphenyl]-4-yl}-3-hydroxy-1-phenylpropyl)-4-hydroxy-2H-chromen-2-one

3-(α-(p-(p-Bromophenyl)-β-hydroxyphenethyl)benzyl)-4-hydroxycoumarin

3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2-benzopyrone

3-[3-(4'-Bromo[1,1'-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-chromen-2-one

3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-hydroxychromen-2-one

3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenyl-propyl]-4-hydroxy-chromen-2-one

3-{3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl}-4-hydroxychromen-2-one

Boldo

Boot hill

Bromadialone

Bromone

C18596

Canadien 2000

Contrac

Coumarin, 3-(3-(4'-bromo-1,1'-biphenyl-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-

Coumarin, 3-(α-(p-(p-bromophenyl)-β-hydroxyphenethyl)benzyl)-4-hydroxy-

MAKI

Ratimus

Rentokil deadline (Salt/Mix)

Slaymor (Salt/Mix)

Super-caid

Super-rozol

Sup'operats

Tamogam

Temus

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1335336 [DBID]

LM 637 [DBID]

46035_RIEDEL [DBID]

LM-637 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Gas Chromatography
- Retention Index (Kovats):
  
  4243 (estimated with error: 89) NIST Spectra mainlib_148314

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.5±0.1 g/cm³
Boiling Point:	723.4±60.0 °C at 760 mmHg
Vapour Pressure:	0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization:	110.9±3.0 kJ/mol
Flash Point:	391.3±32.9 °C
Index of Refraction:	1.687
Molar Refractivity:	138.1±0.3 cm³
#H bond acceptors:	4
#H bond donors:	2
#Freely Rotating Bonds:	6
#Rule of 5 Violations:	2

ACD/LogP:	7.48
ACD/LogD (pH 5.5):	5.63
ACD/BCF (pH 5.5):	6255.52
ACD/KOC (pH 5.5):	9191.20
ACD/LogD (pH 7.4):	3.86
ACD/BCF (pH 7.4):	107.91
ACD/KOC (pH 7.4):	158.55
Polar Surface Area:	67 Å²
Polarizability:	54.7±0.5 10^-24cm³
Surface Tension:	62.4±3.0 dyne/cm
Molar Volume:	362.6±3.0 cm³

Click to predict properties on the Chemicalize site

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Bromadiolone

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Retention Index (Kovats):

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