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3-Chloropropyl 4-Nitrobenzoate
[CAS# 58168-11-9]

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CAS#: 58168-11-9
Product: 3-Chloropropyl 4-Nitrobenzoate
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Identification
Name 3-Chloropropyl 4-Nitrobenzoate
Synonyms 4-Nitrobenzoic Acid 3-Chloropropyl Ester; Nsc74790
Molecular Structure CAS#: 58168-11-9, 3-Chloropropyl 4-Nitrobenzoate
Molecular Formula C10H10ClNO4
Molecular Weight 243.65
CAS Registry Number 58168-11-9
SMILES C1=CC(=CC=C1C(=O)OCCCCl)[N+]([O-])=O
InChI 1S/C10H10ClNO4/c11-6-1-7-16-10(13)8-2-4-9(5-3-8)12(14)15/h2-5H,1,6-7H2
InChIKey AODHIKQFOZZUBA-UHFFFAOYSA-N
Properties
Density 1.327g/cm3 (Cal.)
Boiling point 388.904°C at 760 mmHg (Cal.)
Flash point 189.003°C (Cal.)
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