Chemical Properties of Nitralin (CAS 4726-14-1)

Nitralin

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InChI
InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3
InChI Key
UMKANAFDOQQUKE-UHFFFAOYSA-N
Formula
C12H16N3O6S
SMILES
CCCN(CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-]
Molecular Weight1
330.34
CAS
4726-14-1
Other Names
  • Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N,N-dipropyl-
  • Aniline, 4-(methylsulfonyl)-2,6-dinitro-N,N-dipropyl-
  • N,N-Dipropyl-4-methylsulfonyl-2,6-dinitroaniline
  • Nitraline
  • Planavin
  • Planavin 75
  • Planuin
  • Niralin
  • SD 11831
  • 4-(Methylsulfonyl)-2,6-dinitro-N,N-dipropylbenzeneamine
  • 4-(Methylsulfonyl)-2,6-dinitro-N,N-dipropylbenzenamine
  • 2,6-Dinitro-4-methylsulfonyl-N,N-dipropylaniline
  • 4-Methylsulphonyl-2,6-dinitro-N,N-dipropylaniline
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Physical Properties

Property Value Unit Source
Δf -144.56 kJ/mol Joback Calculated Property
Δfgas -516.87 kJ/mol Joback Calculated Property
Δfus 59.42 kJ/mol Joback Calculated Property
Δvap 102.65 kJ/mol Joback Calculated Property
log10WS -4.05 Crippen Calculated Property
logPoct/wat 2.533 Crippen Calculated Property
McVol 243.180 ml/mol McGowan Calculated Property
Pc 2492.52 kPa Joback Calculated Property
Inp 2447.00 NIST
Tboil 902.36 K Joback Calculated Property
Tc 1134.43 K Joback Calculated Property
Tfus 424.83 ± 0.20 K NIST
Vc 0.964 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [736.03; 785.82] J/mol×K [902.36; 1134.43] Show Hide
Cp,gas 736.03 J/mol×K 902.36 Joback Calculated Property
Cp,gas 747.29 J/mol×K 941.04 Joback Calculated Property
Cp,gas 757.31 J/mol×K 979.72 Joback Calculated Property
Cp,gas 766.13 J/mol×K 1018.39 Joback Calculated Property
Cp,gas 773.80 J/mol×K 1057.07 Joback Calculated Property
Cp,gas 780.35 J/mol×K 1095.75 Joback Calculated Property
Cp,gas 785.82 J/mol×K 1134.43 Joback Calculated Property
ΔfusH 28.05 kJ/mol 424.30 NIST

Similar Compounds

Oryzalin. Profluralin. Isopropalin. Trifluralin. Sulforidazine. Sulforidazine M (nor-), monoacetylated. 3'-O-tert-butyldimethylsilyl-thymidine. Thymidine, 3'-O-TBDMS, 5'-O-TFA. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl. Metopon. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TFA. 5'-O-(tert-butyldimethylsilyl)-thymidine. 5-Methyluridine, tris(trifluoroacetate). Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TFA. Thymidine, 3',5'-bis(O-TBDMSi).

Find more compounds similar to Nitralin.

Sources

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