628-05-7
1-NITROPENTANE
Name
1-NITROPENTANE
Formula
C5 H11 N O2
MolWeight
117.147
1Identification
【Name】
1-NITROPENTANE
【CAS】
【MDL】
MFCD00007410
【English Synonyms】
【Formula】
C5 H11 N O2
【MolWeight】
117.147
【Inchi】
InChI=1S/C5H11NO2/c1-2-3-4-5-6(7)8/h2-5H2,1H3
【InChIKey】
InChIKey=BVALZCVRLDMXOQ-UHFFFAOYSA-N
【SMILES】
CCCCC[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
1-NITROPENTANE.cml
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