| Identification | More | [Name]
2-Iodobenzyl bromide | [CAS]
40400-13-3 | [Synonyms]
2-IODOBENZYL BROMIDE
ALPHA-BROMO-2-IODOTOLUENE
O-IODOBENZYL BROMIDE
Benzene,1-(bromomethyl)-2-iodo-
a-Bromo-2-iodotoluene
2-Iodobenzylbromide,96%
à-bromo-2-iodotoluene
2-Iodobenzyl bromid
1-Iodo-2-(bromomethyl)benzene
2-Iodo-1-bromomethylbenzene | [EINECS(EC#)]
628-053-0 | [Molecular Formula]
C7H6BrI | [MDL Number]
MFCD00236046 | [Molecular Weight]
296.93 | [MOL File]
40400-13-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
54-60 °C(lit.)
| [Boiling point ]
125 °C / 4mmHg | [density ]
2.105±0.06 g/cm3(Predicted) | [Fp ]
>230 °F
| [storage temp. ]
Refrigerator | [solubility ]
soluble in Methanol | [form ]
Crystalline Powder | [color ]
White to cream | [Sensitive ]
Light Sensitive | [BRN ]
2079736 | [InChI]
1S/C7H6BrI/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2 | [InChIKey]
GQFITODJWOIYPF-UHFFFAOYSA-N | [SMILES]
BrCc1ccccc1I | [CAS DataBase Reference]
40400-13-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
GHS05,GHS07,GHS08 | [Signal word ]
Danger | [Hazard statements ]
H302-H314-H334-H318 | [Precautionary statements ]
P260h-P301+P330+P331-P303+P361+P353-P405-P501a-P261-P280-P305+P351+P338-P310 | [Hazard Codes ]
C,N,T | [Risk Statements ]
R22:Harmful if swallowed.
R34:Causes burns.
R43:May cause sensitization by skin contact.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
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 .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
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 ]
2
| [HazardClass ]
8 | [PackingGroup ]
Ⅱ | [HS Code ]
29039990 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Acute Tox. 4 Oral
Resp. Sens. 1
Skin Corr. 1B |
| Questions And Answer | Back Directory | [Application]
2-Iodobenzylmethyl bromide is a halocarbon compound mainly used in laboratory research and development processes and chemical production processes. |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Synthesis]
General procedure for the synthesis of 2-iodobenzyl bromide from 2-iodobenzyl alcohol: 48% hydrobromic acid (10 mL) and 98% sulfuric acid (2 mL) were added to 2-iodobenzyl alcohol (0.94 g, 4.0 mmol). The resulting suspension was placed in an oil bath and heated and stirred at 150 °C for 2 hours. After completion of the reaction, the mixture was cooled to room temperature and extracted with dichloromethane (2 x 10 mL). The organic layers were combined, dried with anhydrous magnesium sulfate and concentrated under reduced pressure to give the crude product. The crude product was purified by fast column chromatography (silica gel, 0-20% dichloromethane/hexane gradient elution) to afford the target compound 2-iodobenzyl bromide (1.0 g, 84% yield). | [References]
[1] Tetrahedron, 2005, vol. 61, # 13, p. 3311 - 3324
[2] Journal of Organic Chemistry, 2012, vol. 77, # 13, p. 5705 - 5713
[3] Helvetica Chimica Acta, 1995, vol. 78, p. 765 - 771
[4] Tetrahedron, 1993, vol. 49, # 20, p. 4439 - 4446
[5] Tetrahedron, 2002, vol. 58, # 44, p. 9007 - 9018 |
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