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Pentyl 4-Nitrobenzoate
[CAS# 14309-42-3]

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Identification
Name Pentyl 4-Nitrobenzoate
Synonyms 4-Nitrobenzoic Acid Pentyl Ester; 4-Nitrobenzoic Acid Amyl Ester; Amyl P-Nitrobenzoate
Molecular Structure CAS#: 14309-42-3, Pentyl 4-Nitrobenzoate
Molecular Formula C12H15NO4
Molecular Weight 237.25
CAS Registry Number 14309-42-3
EINECS 238-247-3
SMILES C1=C(C=CC(=C1)C(=O)OCCCCC)[N+]([O-])=O
InChI 1S/C12H15NO4/c1-2-3-4-9-17-12(14)10-5-7-11(8-6-10)13(15)16/h5-8H,2-4,9H2,1H3
InChIKey BFKGHSXQYBELBN-UHFFFAOYSA-N
Properties
Density 1.156g/cm3 (Cal.)
Boiling point 355.209°C at 760 mmHg (Cal.)
Flash point 149.286°C (Cal.)
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