4-Cyanobenzyl bromide
- Createtime： 2026-04-14
- Updatetime： 2026-09-30
Product Details
| useage |
Industrial use
|
| deliveryInfo |
|
| appearance |
solid
|
| Molecular Weight |
196.04
|
| aliasen |
|
| supplyCapacity |
50000MT/Month
|
| harbor |
Qingdao,China
|
| minorder |
1KG
|
| Appearance |
White to off-white crystalline solid
|
Shandong Huashang Chemical Co., Ltd. is a high-tech enterprise focused on industry of fine chemicals research and develop, produce and sale. Shandong Huashang Chemical Co., Ltd. is located in Shan Dong Ji Nan China. we have the ability to provide you high quality products. More than 90 % of our products are exported to developed countries and regions such as north America, Europe, Japan, South Korea and the Middle East.
4-Cyanobenzyl bromide
1. Basic Information
Name: 4-Cyanobenzyl bromide
Alias: 4-(Bromomethyl)benzonitrile
CAS No.: 17201-43-3
Molecular Formula: C8H6BrN
Molecular Weight: 196.04
Category: Aromatic alkyl bromide pharmaceutical intermediate, active alkylating reagent, fine chemical synthesis building block
2. Physical and Chemical Properties
Physical Properties
- Appearance: White to off-white crystalline solid
- Odor: Strong pungent irritating alkyl halide odor
- Solubility: Soluble in DCM, chloroform, THF, DMF, hot ethanol, toluene; slightly soluble in cold methanol; insoluble in water, petroleum ether, hexane
- Melting Point: 114–118 ℃
- Density (predicted): 1.48 g/cm3
- Hygroscopy: Non-hygroscopic under normal air humidity
- Aqueous property: Neutral molecule; benzyl bromide group slowly hydrolyzes in hot water to generate hydroxymethyl benzonitrile and hydrogen bromide
Chemical Properties
- Molecular structure: Benzene ring with para-substituted cyano group and bromomethyl group; benzyl bromide is highly active SN2 reaction site, cyano group can be converted to amide, carboxylic acid, amine heterocycles
- Nucleophilic substitution reaction: Reacts rapidly with amines, thiols, alcohols, enolates to construct drug side chains; widely used for alkylation of heterocyclic cores
- Cyano derivatization: Cyano can be hydrolyzed, reduced, cyclized to form tetrazole, carboxamide, amino methyl functional fragments
- Debromination risk: Strong reducing agents remove bromine to form methylbenzonitrile impurity
- Photodegradation: Highly light-sensitive; UV irradiation breaks C-Br bond, releases bromine radicals, product turns yellow-brown
- Thermal stability: Stable below 110 ℃; heating above melting point produces HBr gas and decomposition impurities
- Compatibility: Compatible with anhydrous aprotic solvents; incompatible with strong alkali, ammonia, primary/secondary amines, strong oxidants
3. Main Application Fields
1. Pharmaceutical Synthetic Intermediate (Core Application)
Key alkylating raw material for antihypertensive, anti-inflammatory, anti-tumor small molecule APIs; para-cyanobenzyl fragment is common structural motif in many targeted drugs
2. Organic Synthesis Laboratory Reagent
Universal benzylation reagent for construction of nitrogen/sulfur heterocyclic compounds, chiral amine derivatives
3. Pesticide & Dye Intermediate
Precursor for cyano-substituted aromatic fungicides, fluorescent dye chromophore building blocks
4. Quality Specification Table
| Test Item | Standard Specification |
| CAS Number | 17201-43-3 |
| Molecular Formula | C8H6BrN |
| Appearance | Uniform white crystal without brown discoloration |
| HPLC Purity | Synthetic Intermediate Grade ≥98.5% |
| Melting Point | 114–118 ℃ |
| Water Content (KF) | ≤0.15% |
| Residue on Ignition | ≤0.10% |
| Free Bromide Ion | ≤0.10% |
| Single Unknown Impurity | ≤0.10% |
| Heavy Metals (Pb) | ≤10 ppm |
| Packaging | Nitrogen-filled amber light-proof aluminum foil vacuum bag; bulk 25kg light-shield PE lined fiber drum |
| Storage Condition | Hermetically sealed cool dry warehouse below 25 ℃, full light shielding, isolate alkaline materials and amines |
| Transportation Requirement | Light-sensitive corrosive benzyl bromide crystal, sealed light-proof moisture-proof packaging, separated from food, alkaline and amine chemicals |
| Shelf Life | 24 months under nitrogen vacuum sealed storage |
Safety Warning
Highly corrosive irritant brominated aromatic crystal. Dust severely irritates eyes, nasal cavity, throat and respiratory tract; skin contact causes burning erythema, blistering chemical dermatitis; contact with moisture releases corrosive hydrogen bromide vapor. All operations must be carried out in fully ventilated light-proof fume hood with gas dust respirator, UV-blocking splash goggles and thick chemical-resistant nitrile gloves. Strictly avoid light exposure, high temperature and contact with alkaline/amine substances. Waste liquid treated with sodium thiosulfate reduction then neutralization before discharge; solid waste classified as halogen-containing toxic organic hazardous waste for professional incineration disposal.
