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Dichloronitro-Benzene
[CAS# 27900-75-0]

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Identification
Name Dichloronitro-Benzene
Synonyms 1,2-Dichloro-3-Nitro-Benzene; Zinc01690400; Ncgc00091860-01
Molecular Structure CAS#: 27900-75-0, Dichloronitro-Benzene
Molecular Formula C6H3Cl2NO2
Molecular Weight 192.00
CAS Registry Number 27900-75-0
SMILES C1=C([N+]([O-])=O)C(=C(Cl)C=C1)Cl
InChI 1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
InChIKey CMVQZRLQEOAYSW-UHFFFAOYSA-N
Properties
Density 1.5±0.1g/cm3 (Cal.)
1.45 (Expl.)
Melting point 62°C (Expl.)
Boiling point 257-258°C (Expl.)
257.499°C at 760 mmHg (Cal.)
Flash point 123°C (Expl.)
123.889°C (Cal.)
Safety Data
Safety Code S36;S61  Details
Risk Code R22;R33;R51/53  Details
Hazard Symbol symbol  symbol  X;N  Details
Transport Information UN3077
Safety Description WARNING: Irritates skin and eyes, harmful if swallowed
DANGER: POISON, irritates skin, eyes, lungs
References
(1) Sarah L. Price. From crystal structure prediction to polymorph prediction: interpreting the crystal energy landscape, Phys. Chem. Chem. Phys., 2008, 10, 1996.
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