1-BROMO-2-CHLORO-3-NITROBENZENE
- Product Name
- 1-BROMO-2-CHLORO-3-NITROBENZENE
- CAS No.
- 3970-37-4
- Chemical Name
- 1-BROMO-2-CHLORO-3-NITROBENZENE
- Synonyms
- oro-3-nitrobenzene;1-BROMO-2-CHLORO-3-NITROBENZENE;Benzene, 1-bromo-2-chloro-3-nitro-;1-BROMO-2-CHLORO-3-NITROBENZENE ISO 9001：2015 REACH
- CBNumber
- CB6391816
- Molecular Formula
- C6H3BrClNO2
- Formula Weight
- 236.45
- MOL File
- 3970-37-4.mol
1-BROMO-2-CHLORO-3-NITROBENZENE Property
- Melting point:
- 57-60°C
- Boiling point:
- 290.4±20.0 °C(Predicted)
- Density
- 1.827±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Pale Yellow
- InChI
- InChI=1S/C6H3BrClNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
- InChIKey
- JNIDAGAFFKAPRV-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC=CC([N+]([O-])=O)=C1Cl
Safety
- HS Code
- 2902900000
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
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
- B682568
- Product name
- 1-Bromo-2-chloro-3-nitrobenzene
- Packaging
- 5g
- Price
- $225
- Updated
- 2021/12/16
- Product number
- CS-W008709
- Product name
- 1-Bromo-2-chloro-3-nitrobenzene
- Purity
- 99.89%
- Packaging
- 1g
- Price
- $26
- Updated
- 2021/12/16
- Product number
- J95407
- Product name
- 1-Bromo-2-chloro-3-nitrobenzene
- Packaging
- 1g
- Price
- $40
- Updated
- 2021/12/16
- Product number
- 074230
- Product name
- 1-Bromo-2-chloro-3-nitrobenzene
- Purity
- 95+%
- Packaging
- 1g
- Price
- $48
- Updated
- 2021/12/16
- Product number
- FB153849
- Product name
- 1-Bromo-2-chloro-3-nitrobenzene
- Packaging
- 1g
- Price
- $64
- Updated
- 2021/12/16
1-BROMO-2-CHLORO-3-NITROBENZENE Chemical Properties,Usage,Production
Uses
1-Bromo-2-chloro-3-nitrobenzene is a reagent used in pharmaceutical synthesis. Used in the synthesis of benzodiazepinone bromodomain inhibitor CPI-?637 which may be applicable to cancer therapies.
Synthesis
3970-35-2
3970-37-4
General procedure for the synthesis of 1-bromo-2-chloro-3-nitrobenzene from 2-chloro-3-nitrobenzoic acid: 2-chloro-3-nitrobenzoic acid (15 g, 74.4 mmol) was dissolved in 350 mL of carbon tetrachloride under nitrogen protection and red mercuric oxide (24.3 g, 111.62 mmol) was added. The mixture was heated to 87°C under light conditions to reflux and bromine (5.75 mL, 111.6 mmol) was added slowly and dropwise. After the dropwise addition was completed, the reaction was continued at reflux for 3 h, followed by cooling to room temperature. The reaction mixture was quenched with saturated aqueous sodium bicarbonate solution, stirred for 10 min and filtered through a diatomaceous earth pad. The filter cake was further washed with dichloromethane. The organic layer was separated, washed sequentially with water and brine and dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure to give 11.55 g of 1-bromo-2-chloro-3-nitrobenzene in 67% yield. The product was detected by 400 MHz 1H NMR (CDCl3) with chemical shifts of δ 7.84 (d, 1H), 7.71 (d, 1H), 7.27 (dd, 1H); and mass spectra (M + 1) of 235, 237, 239.
References
[1] Journal of Medicinal Chemistry, 1996, vol. 39, # 23, p. 4654 - 4666
[2] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 20, p. 5392 - 5397
[3] Patent: WO2004/69832, 2004, A2. Location in patent: Page 126-127
[4] Patent: US2009/197932, 2009, A1. Location in patent: Page/Page column 5
[5] Patent: WO2008/12623, 2008, A1. Location in patent: Page/Page column 61
1-BROMO-2-CHLORO-3-NITROBENZENE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 1-BROMO-2-CHLORO-3-NITROBENZENE manufacturers
- Product
- 1-Bromo-2-chloro-3-nitrobenzene 3970-37-4
- Price
- US $200.00-1.00/KG
- Min. Order
- 1KG
- Purity
- 99%, 99.5% Sublimated
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2023-12-30
- Product
- 1-bromo-2-chloro-3-nitrobenzene 3970-37-4
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99.7%
- Supply Ability
- 200tons
- Release date
- 2023-02-15
- Product
- 1-BROMO-2-CHLORO-3-NITROBENZENE 3970-37-4
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 100kg
- Release date
- 2019-07-11