4-Bromo-2-cyanobenzyl bromide
- Product Name
- 4-Bromo-2-cyanobenzyl bromide
- CAS No.
- 156001-53-5
- Chemical Name
- 4-Bromo-2-cyanobenzyl bromide
- Synonyms
- 105250;4-Bromo-2-cyanobenzyl bromide;Benzonitrile, 5-bromo-2-(bromomethyl)-;5-bromo-2-(bromom5-bromo-2-(bromomethyl)benzonitrile ethyl)benzonitrile
- CBNumber
- CB61563672
- Molecular Formula
- C8H5Br2N
- Formula Weight
- 274.94
- MOL File
- 156001-53-5.mol
4-Bromo-2-cyanobenzyl bromide Property
- Boiling point:
- 307.2±27.0 °C(Predicted)
- Density
- 1.92±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- white solid
- InChI
- InChI=1S/C8H5Br2N/c9-4-6-1-2-8(10)3-7(6)5-11/h1-3H,4H2
- InChIKey
- RPQAJIVYLBTILC-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC(Br)=CC=C1CBr
Safety
- HS Code
- 2926907090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H302Harmful if swallowed
H314Causes severe skin burns and eye damage
- Precautionary statements
-
P260Do not breathe dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P310Immediately call a POISON CENTER or doctor/physician.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P363Wash contaminated clothing before reuse.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- 8819BB
- Product name
- 5-Bromo-2-(bromomethyl)benzonitrile
- Packaging
- 100mg
- Price
- $163
- Updated
- 2021/12/16
- Product number
- 8819BB
- Product name
- 5-Bromo-2-(bromomethyl)benzonitrile
- Packaging
- 250mg
- Price
- $195
- Updated
- 2021/12/16
- Product number
- 120850
- Product name
- 5-Bromo-2-(bromomethyl)benzonitrile
- Purity
- 97%
- Packaging
- 5g
- Price
- $892
- Updated
- 2021/12/16
- Product number
- 8819BB
- Product name
- 5-Bromo-2-(bromomethyl)benzonitrile
- Packaging
- 5g
- Price
- $1165
- Updated
- 2021/12/16
- Product number
- 120850
- Product name
- 5-Bromo-2-(bromomethyl)benzonitrile
- Purity
- 97%
- Packaging
- 25g
- Price
- $2854
- Updated
- 2021/12/16
4-Bromo-2-cyanobenzyl bromide Chemical Properties,Usage,Production
Synthesis
156001-51-3
156001-53-5
General procedure for the synthesis of 5-bromo-2-(bromomethyl)benzonitrile from 5-bromo-2-methylbenzonitrile: 5-bromo-2-methylbenzonitrile (10.0 g, 51.01 mmol), N-bromosuccinimide (NBS, 9.99 g, 56.11 mmol) and benzoyl peroxide (BPO, 0.62 g, 2.6 mmol) were reacted in carbon tetrachloride ( CCl4, 100 mL) The mixture was stirred and reacted at 80 °C for 8 h under nitrogen (N2) atmosphere. After completion of the reaction, the mixture was filtered and the filtrate was concentrated to dryness under reduced pressure. The crude product was purified by silica gel column chromatography with the eluent being a mixed solvent of ethyl acetate/petroleum ether (gradient elution, 0-100%) to afford 5-bromo-2-(bromomethyl)benzonitrile (9.8 g, 70% yield) as a light yellow oil.1H NMR (400 MHz, CDCl3) δ 7.80 (d, J = 2.0 Hz, 1H), 7.72 (dd, J = 8.4, 2.0 Hz, 1H), 7.43 (d, J = 8.4 Hz, 1H), 4.58 (s, 2H).
References
[1] Organic Letters, 2003, vol. 5, # 7, p. 1131 - 1134
[2] Journal of Materials Chemistry, 2011, vol. 21, # 26, p. 9523 - 9531
[3] Patent: US2017/362228, 2017, A1. Location in patent: Paragraph 0464; 0465
[4] ACS Medicinal Chemistry Letters, 2018, vol. 9, # 2, p. 120 - 124
[5] Patent: US2016/376283, 2016, A1. Location in patent: Paragraph 0341; 0342
4-Bromo-2-cyanobenzyl bromide Preparation Products And Raw materials
Raw materials
Preparation Products
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