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Octyl 4-Nitrobenzoate
[CAS# 6500-50-1]

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Identification
Name Octyl 4-Nitrobenzoate
Synonyms 4-Nitrobenzoic Acid Octyl Ester; Benzoic Acid, 4-Nitro-, Octyl Ester
Molecular Structure CAS#: 6500-50-1, Octyl 4-Nitrobenzoate
Molecular Formula C15H21NO4
Molecular Weight 279.34
CAS Registry Number 6500-50-1
EINECS 229-382-9
SMILES C1=CC(=CC=C1[N+]([O-])=O)C(OCCCCCCCC)=O
InChI 1S/C15H21NO4/c1-2-3-4-5-6-7-12-20-15(17)13-8-10-14(11-9-13)16(18)19/h8-11H,2-7,12H2,1H3
InChIKey WHZYPQVZYYTVFW-UHFFFAOYSA-N
Properties
Density 1.097g/cm3 (Cal.)
Boiling point 396.073°C at 760 mmHg (Cal.)
Flash point 152.808°C (Cal.)
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