2-Bromo-4'-nitroacetophenone
- Product Name
- 2-Bromo-4'-nitroacetophenone
- CAS No.
- 99-81-0
- Chemical Name
- 2-Bromo-4'-nitroacetophenone
- Synonyms
- 2-BROMO-1-(4-NITROPHENYL)ETHAN-1-ONE;2-BROMO-1-(4-NITROPHENYL)ETHANONE;P-NITROPHENACYL BROMIDE;-bromo-4’ASISCHEM D48949;1,3-Bis(2’AKOS BBS-00003952;4-Nitrophecyl bromide;-cyano-phenoxy)propane;4-NITROPHENACYL BROMIDE
- CBNumber
- CB4426103
- Molecular Formula
- C8H6BrNO3
- Formula Weight
- 244.04
- MOL File
- 99-81-0.mol
2-Bromo-4'-nitroacetophenone Property
- Melting point:
- 94-99 °C(lit.)
- Boiling point:
- 325.2±17.0 °C(Predicted)
- Density
- 1.8033 (rough estimate)
- refractive index
- 1.6090 (estimate)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- form
- Crystalline Powder
- color
- Yellow to orange
- BRN
- 393567
- InChI
- InChI=1S/C8H6BrNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2
- InChIKey
- MBUPVGIGAMCMBT-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=C([N+]([O-])=O)C=C1)CBr
- CAS DataBase Reference
- 99-81-0(CAS DataBase Reference)
- NIST Chemistry Reference
- p-Nitrophenacyl bromide(99-81-0)
- EPA Substance Registry System
- 2-Bromo-4'-nitroacetophenone (99-81-0)
Safety
- Hazard Codes
- C,Xi
- Risk Statements
- 34-37
- Safety Statements
- 26-36/37/39-45
- RIDADR
- UN 3261 8/PG 2
- WGK Germany
- 3
- F
- 19
- Hazard Note
- Irritant
- TSCA
- Yes
- HazardClass
- 8
- PackingGroup
- III
- HS Code
- 29147000
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H314Causes severe skin burns and eye damage
- Precautionary statements
-
P260Do not breathe dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P363Wash contaminated clothing before reuse.
N-Bromosuccinimide Price
- Product number
- 245615
- Product name
- 2-Bromo-4′-nitroacetophenone
- Purity
- 95%
- Packaging
- 10g
- Price
- $84.4
- Updated
- 2025/07/31
- Product number
- 245615
- Product name
- 2-Bromo-4′-nitroacetophenone
- Purity
- 95%
- Packaging
- 50g
- Price
- $133.7
- Updated
- 2025/07/31
- Product number
- N0473
- Product name
- 2-Bromo-4'-nitroacetophenone
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $16
- Updated
- 2025/07/31
- Product number
- N0473
- Product name
- 2-Bromo-4'-nitroacetophenone
- Purity
- >98.0%(GC)
- Packaging
- 25g
- Price
- $32
- Updated
- 2025/07/31
- Product number
- N0473
- Product name
- 2-Bromo-4'-nitroacetophenone
- Purity
- >98.0%(GC)
- Packaging
- 100g
- Price
- $116
- Updated
- 2025/07/31
2-Bromo-4'-nitroacetophenone Chemical Properties,Usage,Production
Chemical Properties
yellow to orange crystalline powder
Uses
2-Bromo-4′-nitroacetophenone was used to study the pKa of the histidine-34 imidazole.
Synthesis Reference(s)
Synthesis, p. 487, 1980 DOI: 10.1055/s-1980-29067
Synthesis
940-13-6
99-81-0
The general procedure for the synthesis of 2-bromo-4'-nitroacetophenone using the compound (CAS: 940-13-6) as starting material: haloalkynes (0.5 mmol), AgF (5 mol%), and water (1 eq.) were dissolved in trifluoroacetic acid (TFA, 1 mL), and the reaction was stirred for 6 hr at 40 °C. Upon completion of the reaction, TFA was recovered by distillation for reuse. The residue was purified by column chromatographic separation to afford the target product 2-bromo-4'-nitroacetophenone in pure form.
Purification Methods
Crystallise it from *C6H6/pet ether. [Beilstein 7 IV 661.]
References
[1] Tetrahedron Letters, 2014, vol. 55, # 7, p. 1373 - 1375
[2] Chinese Journal of Chemistry, 2016, vol. 34, # 12, p. 1251 - 1254
[3] Tetrahedron Letters, 2016, vol. 57, # 45, p. 4983 - 4986
2-Bromo-4'-nitroacetophenone Preparation Products And Raw materials
Raw materials
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View Lastest Price from 2-Bromo-4'-nitroacetophenone manufacturers
- Product
- 2-Bromo-4'-nitroacetophenone 99-81-0
- Price
- US $100.00-1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2023-12-25
- Product
- 2-Bromo-4'-nitroacetophenone 99-81-0
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99.0%+
- Supply Ability
- 100 tons
- Release date
- 2020-01-07
- Product
- 2-Bromo-4'-nitroacetophenone 99-81-0
- Price
- US $7.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 100KG
- Release date
- 2018-08-15