| Identification | More | [Name]
4-Iodobenzyl bromide | [CAS]
16004-15-2 | [Synonyms]
1-BROMOMETHYL-4-IODO-BENZENE
4-IODOBENZYL BROMIDE
ALPHA-BROMO-4-IODOTOLUENE
P-IODOBENZYL BROMIDE
4-Iodobenzyl Bromide p-Iodobenzyl Bromide
à-bromo-4-iodotoluene
4-Iodobenzyl bromide 97%
p-odobenzyl bromide | [Molecular Formula]
C7H6BrI | [MDL Number]
MFCD00209656 | [Molecular Weight]
296.93 | [MOL File]
16004-15-2.mol |
| Chemical Properties | Back Directory | [Appearance]
light yellow adhering crystalline powder | [Melting point ]
78-82 °C(lit.)
| [Boiling point ]
140°C 15mm | [density ]
2.0672 (rough estimate) | [refractive index ]
1.6500 (estimate) | [Fp ]
140°C/15mm | [storage temp. ]
2-8°C
| [form ]
Adhering Crystalline Powder | [color ]
Light yellow | [Water Solubility ]
Insoluble in water. | [Sensitive ]
Light Sensitive/Lachrymatory | [BRN ]
2325160 | [InChI]
InChI=1S/C7H6BrI/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2 | [InChIKey]
BQTRMYJYYNQQGK-UHFFFAOYSA-N | [SMILES]
C1(CBr)=CC=C(I)C=C1 | [CAS DataBase Reference]
16004-15-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS05 | [Signal word ]
Danger | [Hazard statements ]
H314 | [Precautionary statements ]
P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 | [Hazard Codes ]
C,T | [Risk Statements ]
R34:Causes burns.
R63:Possible risk of harm to the unborn child.
R42/43:May cause sensitization by inhalation and skin contact .
R36/37/38:Irritating to eyes, respiratory system and skin . | [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) .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . | [RIDADR ]
UN 3261 8/PG 2
| [WGK Germany ]
3
| [Hazard Note ]
Corrosive/Lachrymatory/Light Sensitive | [REACH Registrations]
Active | [HazardClass ]
8 | [HazardClass ]
IRRITANT | [PackingGroup ]
Ⅱ | [HS Code ]
29039990 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Eye Dam. 1
Skin Corr. 1B |
| Hazard Information | Back Directory | [Chemical Properties]
light yellow adhering crystalline powder | [Uses]
4-Iodobenzyl bromide is used as an organic chemical synthesis intermediate. | [Synthesis]
4-Iodotoluene (Compound 1C, 25 g) was added with N-bromosuccinimide (23.5 g) and benzoyl peroxide (375 mg) in carbon tetrachloride (375 ml) and heated to reflux for 7 hours under light conditions. After completion of the reaction, the mixture was stirred at room temperature overnight. Subsequently, the insoluble material was removed by filtration and the filtrate was concentrated under reduced pressure. The concentrated residue was recrystallized with ethyl acetate and hexane to afford the target product 4-iodobenzyl bromide (Compound 1D) in 60.3% yield.
[0027] NMR hydrogen spectral data (CDCl3, with TMS as internal standard): δ 7.72 (d, 2H), 7.14 (d, 2H), 4.39 (s, 2H). | [References]
[1] Macromolecules, 2013, vol. 46, # 12, p. 4754 - 4763
[2] Acta Crystallographica Section C: Crystal Structure Communications, 2003, vol. 59, # 4, p. o216-o218
[3] Journal of Materials Chemistry C, 2015, vol. 3, # 4, p. 734 - 741
[4] Chemistry - An Asian Journal, 2017, vol. 12, # 6, p. 690 - 697
[5] Journal of Organic Chemistry, 2014, vol. 79, # 1, p. 223 - 229 |
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