645-00-1

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645-00-1 Structure

Identification	More
[Name] 1-Iodo-3-nitrobenzene
[CAS] 645-00-1
[Synonyms] 1-IODO-3-NITROBENZENE 3-IODONITROBENZENE M-IODONITROBENZENE M-NITROIODOBENZENE 1-iodo-3-nitro-benzen 3-Nitroiodobenzene Benzene, 1-iodo-3-nitro- m-Nitrophenyliodide 3-IODONITROBENZENE 97% 1-Iodo-3-nitrobenzene,98% 3-IODONITROBENZENE/1-IODO-3-NITROBENZENE 3-Iodo-1-nitrobenzene 3-Nitro-1-iodobenzene 3-Nitrophenyl iodide
[EINECS(EC#)] 211-427-9
[Molecular Formula] C6H4INO2
[MDL Number] MFCD00007218
[Molecular Weight] 249.01
[MOL File] 645-00-1.mol

Chemical Properties	Back Directory
[Appearance] yellow to yellow-green powder
[Melting point ] 36-38 °C (lit.)
[Boiling point ] 280 °C (lit.)
[density ] 1.9477
[Fp ] 161 °F
[storage temp. ] Refrigerator (+4°C) + Flammables area
[form ] powder to lump to clear liquid
[color ] Light yellow to Yellow
[Stability:] Stable. Highly flammable. Incompatible with strong bases, strong oxidizing agents.
[Water Solubility ] insoluble
[Sensitive ] Light Sensitive
[BRN ] 1525167
[CAS DataBase Reference] 645-00-1(CAS DataBase Reference)
[NIST Chemistry Reference] m-Iodonitrobenzene(645-00-1)
[EPA Substance Registry System] 645-00-1(EPA Substance)

Safety Data	Back Directory
[Hazard Codes ] Xn,F,Xi
[Risk Statements ] R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin . R36:Irritating to the eyes. R33:Danger of cumulative effects. R11:Highly Flammable.
[Safety Statements ] S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S16:Keep away from sources of ignition-No smoking . S36:Wear suitable protective clothing .
[RIDADR ] UN 1325 4.1/PG 2
[WGK Germany ] 3
[TSCA ] Yes
[HazardClass ] 4.1
[HS Code ] 29049090

Hazard Information	Back Directory
[General Description] Monoclinic prisms or tan solid.
[Chemical Properties] yellow to yellow-green powder
[Uses] 1-Iodo-3-nitrobenzene was used in the synthesis of 5-substituted pyrrolo[3,2-b]pyridine amide and 3′-nitro-4-methylthiobiphenyl. It was used in palladium(0) catalyzed cross-coupling reaction between heteroarylzinc iodide and unsaturated iodide.
[Definition] ChEBI: A C-nitro compound that is nitrobenzene bearing an iodine substituent at C-3.

Material Safety Data Sheet(MSDS)	Back Directory
[msds information] 1-Iodo-3-nitrobenzene(645-00-1).msds

Spectrum Detail	Back Directory
[Spectrum Detail] 1-Iodo-3-nitrobenzene(645-00-1)MS 1-Iodo-3-nitrobenzene(645-00-1)¹HNMR 1-Iodo-3-nitrobenzene(645-00-1)¹³CNMR 1-Iodo-3-nitrobenzene(645-00-1)IR1 1-Iodo-3-nitrobenzene(645-00-1)IR2 1-Iodo-3-nitrobenzene(645-00-1)Raman

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