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Home > Encyclopedia > 1,3-Dichloro-5-iodobenzene

1,3-Dichloro-5-iodobenzene

1,3-Dichloro-5-iodobenzene structure

1,3-Dichloro-5-iodobenzene 

structure
  • CAS No:

    3032-81-3

  • Formula:

    C6H3Cl2I

  • Chemical Name:

    1,3-Dichloro-5-iodobenzene

  • 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

  • Categories:

    Organic Chemistry  >  Hydrocarbons and Derivatives

Description

Pale yellow to pale orange crystals or powder

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

Methods of 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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