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138401-24-8

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Basic Information
CAS No.: 138401-24-8
Name: 4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile
Article Data: 26
Cas Database
Molecular Structure:
Molecular Structure of 138401-24-8 (4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile)
Formula: C25H27N3O
Molecular Weight: 385.509
Synonyms: 1,3-Diazaspiro[4.4]nonane,[1,1'-biphenyl]-2-carbonitrile deriv.;2-Butyl-3-[[2'-(cyano)biphenyl-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one;
EINECS: 423-500-4
Density: 1.151 g/cm3
Melting Point: 95-97°C
Boiling Point: 576.5 °C at 760 mmHg
Flash Point: 302.5 °C
Appearance: White or off-white crystalline powder
Hazard Symbols: DangerousN
Risk Codes: 50/53
Safety: 60-61
PSA: 56.46000
LogP: 4.84248
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Chemistry

The Molecular Structure of 4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile (CAS NO.138401-24-8):

Empirical Formula: C25H27N3O
Molecular Weight: 385.5014 
Product Categories: Chemical intermediate for Sartan;INTERMEDIATESOF;Irbesartan;(intermediate of irbesartan)
IUPAC Name: 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile
Nominal Mass: 385 Da
Average Mass: 385.5014 Da
Monoisotopic Mass: 385.215412 Da 
Index of Refraction: 1.621
Molar Refractivity: 117.693 cm3
Molar Volume: 334.822 cm3
Surface Tension: 46.535 dyne/cm
Density: 1.151 g/cm3
Flash Point: 302.479 °C
Enthalpy of Vaporization: 86.329 kJ/mol
Boiling Point: 576.536 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

Safety Profile

Hazard Codes: DangerousN
Risk Statements: 50/53 
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 60-61 
S60: This material and its container must be disposed of as hazardous waste
S61: Avoid release to the environment. Refer to special instructions / safety data sheets

Specification

 4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile (CAS NO.138401-24-8) is also called as [1,1'-Biphenyl]-2-carbonitrile,4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]- ; [1,1'-Biphenyl]-2-carbonitrile-4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl] ; 4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile ; 4'-[(2-N-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile ; [1.1'-Biphenyl]-2-carbonitrile-4-[(2-butyl-4-oxo-1.3-diazaspiro[4.4]non-1-en-3-y ; 4'-[(2-Butyl-4-oxo-1,3-diazasp;4-(2-Butyl-1,3-diazaspiro-[4-4] no-1-en-3-yl-methyl)biphenyl-2-carbonitrile .

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