Chemical Properties of 7-Difluoromethoxy-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one (CAS 55384-53-7)

7-Difluoromethoxy-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one

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InChI
InChI=1S/C16H12F2N2O2/c17-16(18)22-11-6-7-13-12(8-11)15(19-9-14(21)20-13)10-4-2-1-3-5-10/h1-8,16H,9H2,(H,20,21)
InChI Key
WMEDSEKKSZGVOM-UHFFFAOYSA-N
Formula
C16H12F2N2O2
SMILES
O=C1CN=C(c2ccccc2)c2cc(OC(F)F)ccc2N1
Molecular Weight1
302.28
CAS
55384-53-7
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Physical Properties

Property Value Unit Source
Δf -61.17 kJ/mol Joback Calculated Property
Δfgas -354.96 kJ/mol Joback Calculated Property
Δfus 36.26 kJ/mol Joback Calculated Property
Δvap 76.21 kJ/mol Joback Calculated Property
log10WS -3.86 Crippen Calculated Property
logPoct/wat 3.078 Crippen Calculated Property
McVol 204.560 ml/mol McGowan Calculated Property
Pc 2695.80 kPa Joback Calculated Property
Tboil 843.48 K Joback Calculated Property
Tc 1104.23 K Joback Calculated Property
Tfus 629.58 K Joback Calculated Property
Vc 0.784 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [620.26; 676.61] J/mol×K [843.48; 1104.23] Show Hide
Cp,gas 620.26 J/mol×K 843.48 Joback Calculated Property
Cp,gas 634.28 J/mol×K 886.94 Joback Calculated Property
Cp,gas 646.46 J/mol×K 930.40 Joback Calculated Property
Cp,gas 656.80 J/mol×K 973.86 Joback Calculated Property
Cp,gas 665.27 J/mol×K 1017.32 Joback Calculated Property
Cp,gas 671.88 J/mol×K 1060.77 Joback Calculated Property
Cp,gas 676.61 J/mol×K 1104.23 Joback Calculated Property

Similar Compounds

Nordazepam. 7-Acetamino-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one. 7-Aminoclonazepam. Delorazepam. 7-Acetamidoclonazepam. Demoxepam. Nitrazepam. Clonazepam. 7-Aminonorflunitrazepam. Norfludiazepam. Phenazepam. Clorazepate. SCHEMBL9488362. N-Desmethylflunitrazepam. Nalmefene, bis(trifluoroacetate).

Find more compounds similar to 7-Difluoromethoxy-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one.

Sources

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