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4-(4-Nitrophenoxy)-Benzoic Acid
[CAS# 16309-45-8]

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Identification
Name 4-(4-Nitrophenoxy)-Benzoic Acid
Synonyms 4-(4-Nitro-Phenoxy)-Benzoic Acid; Bas 00127439; Cbdive_001307
Molecular Structure CAS#: 16309-45-8, 4-(4-Nitrophenoxy)-Benzoic Acid
Molecular Formula C13H9NO5
Molecular Weight 259.22
CAS Registry Number 16309-45-8
SMILES C2=C(OC1=CC=C(C=C1)C(=O)O)C=CC(=C2)[N+]([O-])=O
InChI 1S/C13H9NO5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)
InChIKey XTVBFFGZCMYUJX-UHFFFAOYSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
Melting point 238-242°C (Expl.)
Boiling point 429.3±25.0°C at 760 mmHg (Cal.)
Flash point 213.4±23.2°C (Cal.)
Safety Data
Safety Code S24;S37;S57  Details
Risk Code R22;R43;R50  Details
Hazard Symbol symbol  symbol  X;N  Details
Transport Information UN3077
Safety Description WARNING: Harmful if swallowed, causes sensitization.
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