1,3-Dichloro-5-iodobenzene
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1,3-Dichloro-5-iodobenzene
structure -
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CAS No:
3032-81-3
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Formula:
C6H3Cl2I
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Chemical Name:
1,3-Dichloro-5-iodobenzene
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Synonyms:
Benzene,1,3-dichloro-5-iodo-;1,3-Dichloro-5-iodobenzene;3,5-Dichlorophenyl iodide;3,5-Dichloroiodobenzene;1-Iodo-3,5-dichlorobenzene;NSC 80149;3,5-Dichloro-1-iodobenzene
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CAS No:
1,3-Dichloro-5-iodobenzene Basic Attributes
272.9
272.90
2242455
221-216-3
V7B3N2933K
80149
DTXSID4062800
29039990
Characteristics
0
3.8
tan - off-white powder.
2.0±0.1 g/cm3
54 °C
127°C20mm
127°C/20mm
1.643
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
NONH for all modes of transport
3
36/37/38
24/25
Xi
Irritant
Stable at room temperature in closed containers under normal storage and handling conditions.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H302 (22.22%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 9 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,3-Dichloro-5-iodobenzene Use and Manufacturing
8-Mercaptoadenine (3.6 mmol), neocuproine hydrate (0.36 mmol), Cul (0.36 mmol), NaO-?-Bu (7.2 mmol), 3, 5-dichloro-iodobenzene (10.8 mmol), and anhydrous DMF (24 mL) were added to a round bottom flask flushed with nitrogen. The flask was sealed with Teflon tape and heated at 1 10 °C with stirring for 24-36 h under nitrogen. Solvent was removed under reduced pressure and the resulting residue was chromatographed (CH2Cl2:MeOH:AcOH, 20: 1 :0.5) to yield 15 as a yellow solid in 44 percent yield. -NMR (400 MHz, DMSO-i/6) delta 13.49 (IH, br s), 8.13 (IH, s), 7.59 (IH, s), 7.47 (2H, s), 7.36 (2H, br s); MS (ESI): m/z 312.1 [M + H+].
Benzene, 1,3-dichloro-5-iodo-: INACTIVE
Computed Properties
Molecular Weight:272.89
XLogP3:3.8
Exact Mass:271.86565
Monoisotopic Mass:271.86565
Heavy Atom Count:9
Complexity:87.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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