ChemicalBook > CAS DataBase List > 4-Bromo-2-cyanobenzyl bromide

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

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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

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Safety

HS Code: 2926907090

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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..…

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N-Bromosuccinimide Price

AK Scientific

Product number: 8819BB
Product name: 5-Bromo-2-(bromomethyl)benzonitrile
Packaging: 100mg
Price: $163
Updated: 2021/12/16

AK Scientific

Product number: 8819BB
Product name: 5-Bromo-2-(bromomethyl)benzonitrile
Packaging: 250mg
Price: $195
Updated: 2021/12/16

Matrix Scientific

Product number: 120850
Product name: 5-Bromo-2-(bromomethyl)benzonitrile
Purity: 97%
Packaging: 5g
Price: $892
Updated: 2021/12/16

AK Scientific

Product number: 8819BB
Product name: 5-Bromo-2-(bromomethyl)benzonitrile
Packaging: 5g
Price: $1165
Updated: 2021/12/16

Matrix Scientific

Product number: 120850
Product name: 5-Bromo-2-(bromomethyl)benzonitrile
Purity: 97%
Packaging: 25g
Price: $2854
Updated: 2021/12/16

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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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156001-53-5, 4-Bromo-2-cyanobenzyl bromideRelated Search:

Lithium hydride Propane 4-Bromo-2-cyanobenzyl bromide 5-BROMO-2-METHYLBENZONITRILE 2-Cyanobenzyl bromide

4-Bromo-2-cyanobenzyl bromide

Benzonitrile, 5-bromo-2-(bromomethyl)-

105250

5-bromo-2-(bromom5-bromo-2-(bromomethyl)benzonitrile ethyl)benzonitrile

156001-53-5

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