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4-(Butylamino)-3-Nitrobenzoic Acid
[CAS# 120321-65-5]

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Identification
Name 4-(Butylamino)-3-Nitrobenzoic Acid
Synonyms 4-BUTYLAMINO-3-NITRO-BENZOICACID; MFCD00434901
Molecular Structure CAS#: 120321-65-5, 4-(Butylamino)-3-Nitrobenzoic Acid
Molecular Formula C11H14N2O4
Molecular Weight 238.24
CAS Registry Number 120321-65-5
SMILES CCCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
InChI 1S/C11H14N2O4/c1-2-3-6-12-9-5-4-8(11(14)15)7-10(9)13(16)17/h4-5,7,12H,2-3,6H2,1H3,(H,14,15)
InChIKey PATRMRVHZVOHEB-UHFFFAOYSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Boiling point 415.8±40.0°C at 760 mmHg (Cal.)
Flash point 205.3±27.3°C (Cal.)
Refractive index 1.608 (Cal.)
Safety Data
Safety Description IRRITANT
SDS Available
References
(1) Shivanagere Nagojappa Narendra Babu, Aisyah Saad Abdul Rahim, Hasnah Osman, Samuel Robinson Jebas and Hoong-Kun Fun . 4-Butylamino-3-nitrobenzoic acid , Acta Cryst (2009). E65, o1122-o1123   
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