4-Bromo-2-nitrobenzaldehyde
- Product Name
- 4-Bromo-2-nitrobenzaldehyde
- CAS No.
- 5551-12-2
- Chemical Name
- 4-Bromo-2-nitrobenzaldehyde
- Synonyms
- Nifedipine Impurity 20;4-BROMO-2-NITROBENZALDEHYDE;Benzaldehyde, 4-bromo-2-nitro-;4-BroMo-2-nitrobenzaldehyde, 95+%;4'-Amino-3',6'-difluoroacetophenone;4-Bromo-2-nitrobenzaldehyde, 97%min;2-Nitro-4-brom-benzaldehyd,2-nitro-4-bromobenzaldehyde,4-bromo-2-nitro-benzaldehyde,4-Brom-2-nitro-benzaldehyd
- CBNumber
- CB8137003
- Molecular Formula
- C7H4BrNO3
- Formula Weight
- 230.02
- MOL File
- 5551-12-2.mol
4-Bromo-2-nitrobenzaldehyde Property
- Melting point:
- 95.0 to 99.0 °C
- Boiling point:
- 334.4±32.0 °C(Predicted)
- Density
- 1.781±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C, stored under nitrogen
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- Light orange to Yellow to Green
- λmax
- 260nm(CH3CN)(lit.)
- InChI
- InChI=1S/C7H4BrNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H
- InChIKey
- GSXUXSXBEUJRAJ-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O
- CAS DataBase Reference
- 5551-12-2(CAS DataBase Reference)
Safety
- Hazard Codes
- Xn,N
- Risk Statements
- 22-36/37/38-43-50
- Safety Statements
- 26-36/37-61
- RIDADR
- UN 3077 9 / PGIII
- WGK Germany
- 3
- HS Code
- 2913000090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H317May cause an allergic skin reaction
H319Causes serious eye irritation
H335May cause respiratory irritation
H400Very toxic to aquatic life
- Precautionary statements
-
P273Avoid release to the environment.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 756628
- Product name
- 4-Bromo-2-nitrobenzaldehyde
- Purity
- 97%
- Packaging
- 1g
- Price
- $74.8
- Updated
- 2023/06/20
- Product number
- B4146
- Product name
- 4-Bromo-2-nitrobenzaldehyde
- Purity
- >96.0%(GC)
- Packaging
- 1g
- Price
- $32
- Updated
- 2025/07/31
- Product number
- B4146
- Product name
- 4-Bromo-2-nitrobenzaldehyde
- Purity
- >96.0%(GC)
- Packaging
- 5g
- Price
- $125
- Updated
- 2025/07/31
- Product number
- B678845
- Product name
- 4-Bromo-2-nitrobenzaldehyde
- Packaging
- 1g
- Price
- $45
- Updated
- 2021/12/16
- Product number
- 079942
- Product name
- 4-Bromo-2-nitrobenzaldehyde
- Packaging
- 1g
- Price
- $11
- Updated
- 2021/12/16
4-Bromo-2-nitrobenzaldehyde Chemical Properties,Usage,Production
Uses
4-Bromo-2-nitrobenzaldehyde is used along with in the synthesis of Tyrian Purple as a teaching material, from o-Nitrotoluene via 4-Bromo-2-nitrotoluene and 4-Bromo-2-nitrobenzylidene diacetate;Also, it is used as a starting material in the synthesis of heterocyclyl as HDAC3 inhibitors.
Synthesis Reference(s)
The Journal of Organic Chemistry, 72, p. 5867, 2007 DOI: 10.1021/jo070477u
Synthesis
60956-26-5
5551-12-2
Step A: Concentrated sulfuric acid (324 mL) was added slowly and dropwise to a solution of 4-bromo-1-methyl-2-nitrobenzene (300 g, 1.38 mol) in acetic anhydride (2400 mL) at 0 °C. Subsequently, a solution of chromium trioxide (384 g, 3.84 mol) dissolved in acetic anhydride (2160 mL) was added, keeping the internal temperature of the reaction system below 10 °C during the process. The reaction mixture was stirred for 1 hour and then slowly poured into an ice-water mixture. The solid product was collected by filtration and washed with plenty of water until the washings were colorless. The resulting solid was suspended in 1800 mL of a 2% aqueous sodium carbonate solution, stirred thoroughly and then filtered again, washed with water and finally dried under reduced pressure. [000195] The diacetate product obtained above was suspended in a mixed solution comprising 1360 mL of concentrated hydrochloric acid, 1250 mL of water and 480 mL of ethanol and refluxed for 45 minutes. After the reaction was completed, it was cooled to room temperature, the solid product was collected by filtration and washed with water. The final 4-bromo-2-nitrobenzaldehyde (147 g, 45% overall yield in two steps) was obtained as a brown solid, which could be used in the subsequent reaction without further purification.
References
[1] Patent: WO2012/97177, 2012, A2. Location in patent: Page/Page column 57-58
[2] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 7, p. 2462 - 2467
[3] Organic Preparations and Procedures International, 2006, vol. 38, # 3, p. 325 - 331
[4] Synthetic Communications, 2001, vol. 31, # 23, p. 3721 - 3727
[5] Heterocycles, 1994, vol. 39, # 2, p. 767 - 778
4-Bromo-2-nitrobenzaldehyde Preparation Products And Raw materials
Raw materials
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View Lastest Price from 4-Bromo-2-nitrobenzaldehyde manufacturers
- Product
- 4-Bromo-2-nitrobenzaldehyde 5551-12-2
- Price
- US $10.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10 mt
- Release date
- 2024-11-07
- Product
- 4-Bromo-2-nitrobenzaldehyde 5551-12-2
- Price
- US $6.68/KG
- Min. Order
- 1KG
- Purity
- 97%-99%
- Supply Ability
- 1kg-1000kg
- Release date
- 2020-01-09