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1-Iodo-3,5-Dinitrobenzene
[CAS# 6276-04-6]

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Identification
Name 1-Iodo-3,5-Dinitrobenzene
Synonyms 1-Iodo-3,5-Dinitro-Benzene; Zinc01668820; 3,5-Dinitroiodobenzene
Molecular Formula C6H3IN2O4
Molecular Weight 294.01
CAS Registry Number 6276-04-6
SMILES C1=C(C=C(C=C1I)[N+]([O-])=O)[N+]([O-])=O
InChI 1S/C6H3IN2O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H
InChIKey AISNAASNOWRWIR-UHFFFAOYSA-N
Properties
Density 2.2±0.1g/cm3 (Cal.)
Melting point 99-103°C (Expl.)
Boiling point 346.0±22.0°C at 760 mmHg (Cal.)
Flash point 163.1±22.3°C (Cal.)
Safety Data
Safety Code S24;S26;S36/37  Details
Risk Code R20/21/22;R36/37/38;R43  Details
Hazard Symbol symbol  X  Details
Safety Description WARNING: Irritates skin and eyes, harmful if swallowed
SDS Available
References
(1) K. Merz. Secondary interactions in 1-iodo-3-nitrobenzene and 1-iodo-3,5-dinitrobenzene, Acta Cryst C 2003 Volume 59 Part 2 Page o65-o67
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