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2'-Nitroacetanilide
[CAS 552-32-9]

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Identification
Name 2'-Nitroacetanilide
Synonyms N-(2-Nitrophenyl)Ethanamide; Nsc 1313
Molecular Formula C8H8N2O3
Molecular Weight 180.16
CAS Registry Number 552-32-9
EINECS 209-009-6
SMILES C1=CC=CC(=C1[N+](=O)[O-])NC(C)=O
InChI 1S/C8H8N2O3/c1-6(11)9-7-4-2-3-5-8(7)10(12)13/h2-5H,1H3,(H,9,11)
InChIKey BUNFNRVLMKHKIT-UHFFFAOYSA-N
Properties
Density 1.42 (Expl.)
1.3±0.1g/cm3 (Cal.)
Melting point 93°C (Expl.)
Boiling point 388.1±25.0°C at 760 mmHg (Cal.)
Flash point 188.5±23.2°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
SDS Available
References
(1) Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
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