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alpha-Ethyl-3-Nitrocinnamic Acid
[CAS# 5253-02-1]

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Identification
Name alpha-Ethyl-3-Nitrocinnamic Acid
Synonyms 2-[(3-Nitrophenyl)Methylidene]Butanoic Acid; (2E)-2-[(3-Nitrophenyl)Methylene]Butanoic Acid; 2-[(3-Nitrophenyl)Methylene]Butanoic Acid
Molecular Structure CAS#: 5253-02-1, alpha-Ethyl-3-Nitrocinnamic Acid
Molecular Formula C11H11NO4
Molecular Weight 221.21
CAS Registry Number 5253-02-1
EINECS 226-054-7
SMILES C1=C(C=CC=C1\C=C(C(O)=O)/CC)[N+](=O)[O-]
InChI 1S/C11H11NO4/c1-2-9(11(13)14)6-8-4-3-5-10(7-8)12(15)16/h3-7H,2H2,1H3,(H,13,14)/b9-6+
InChIKey QMUHBYNLXQHZNR-RMKNXTFCSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Melting point 138-142°C (Expl.)
Boiling point 381.3±25.0°C at 760 mmHg (Cal.)
Flash point 164.2±11.6°C (Cal.)
Safety Data
Safety Code S26;S37  Details
Risk Code R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description WARNING: Irritates lungs, eyes, skin
IRRITANT
Market Analysis Reports
List of Reports Available for alpha-Ethyl-3-Nitrocinnamic Acid
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