- Model experiments on surugatoxin synthesis. II. Synthesis of ethyl 4-amino-2-(6-bromo-2-oxo-3-indolinyl)-3-oxobutyrate hydrochlorideHashizume, Kiyomatsu; Nagano, Hideo; Kakoi, Hisae; Tanino, Hideo; Okada, Kunisuke; et al, Yakugaku Zasshi, 1985, 105(4), 357-61
Cas no 90004-94-7 (1-(4-Bromo-2-nitrophenyl)ethanone)
1-(4-Bromo-2-nitrophenyl)ethanone is a brominated nitroaryl ketone compound used as an intermediate in organic synthesis, particularly in pharmaceuticals and agrochemicals. Its distinct bromo and nitro functional groups enable selective reactivity, facilitating further derivatization. The compound offers high purity and stability, making it suitable for precise synthetic applications.
90004-94-7 structure
Product Name:1-(4-Bromo-2-nitrophenyl)ethanone
CAS No:90004-94-7
MF:C8H6BrNO3
MW:244.042141437531
MDL:MFCD11977406
CID:61346
PubChem ID:14503613
Update Time:2025-06-17
1-(4-Bromo-2-nitrophenyl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-Bromo-2-nitrophenyl)ethanone
- Ethanone, 1-(4-bromo-2-nitrophenyl)-
- 4'-BROMO-2'-NITROACETOPHENONE
- 1-(4-bromo-2-nitrophenyl)ethan-1-one
- PubChem18334
- 4'-Bromo-2?nitroacetophenone
- NZUHVXSDFZFAFX-UHFFFAOYSA-N
- l-(4-bromo-2-nitrophenyl)ethanone
- 4958AC
- FCH1408896
- 1-(4-bromanyl-2-nitro-phenyl)ethanone
- BC004351
- OR400597
- 1-(4-BROMO-6-NITROPHENYL)ETHANONE
- AX8
- 1-(4-Bromo-2-nitrophenyl)ethanone (ACI)
- Acetophenone, 4′-bromo-2′-nitro- (7CI)
- 4′-Bromo-2′-nitroacetophenone
- DTXSID70561072
- 90004-94-7
- SCHEMBL3498660
- AKOS015835532
- DS-13178
- W17607
- 1-(4-Bromo-2-nitrophenyl)ethanone;Ethanone, 1-(4-bromo-2-nitrophenyl)-
- MFCD11977406
- SY114199
- EN300-199173
- 4 inverted exclamation mark -Bromo-2 inverted exclamation mark -nitroacetophenone
- CS-W021228
-
- MDL： MFCD11977406
- Inchi： 1S/C8H6BrNO3/c1-5(11)7-3-2-6(9)4-8(7)10(12)13/h2-4H,1H3
- InChI Key： NZUHVXSDFZFAFX-UHFFFAOYSA-N
- SMILES： O=C(C)C1C([N+](=O)[O-])=CC(Br)=CC=1
Computed Properties
- Exact Mass: 242.95300
- Monoisotopic Mass: 242.95311g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 226
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 62.9
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.637
- Melting Point: 70 oC
- Boiling Point: 345.9±27.0 °C at 760 mmHg
- Flash Point: 163.0±23.7 °C
- Refractive Index: 1.593
- PSA: 62.89000
- LogP: 3.08310
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
1-(4-Bromo-2-nitrophenyl)ethanone Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1-(4-Bromo-2-nitrophenyl)ethanone Customs Data
- HS CODE：2914700090
- Customs Data：
China Customs Code:
2914700090Overview:
2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%
1-(4-Bromo-2-nitrophenyl)ethanone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019118206-5g |
1-(4-Bromo-2-nitrophenyl)ethanone |
90004-94-7 | 98% | 5g |
$385.20 | 2023-08-31 | |
| Alichem | A019118206-10g |
1-(4-Bromo-2-nitrophenyl)ethanone |
90004-94-7 | 98% | 10g |
$580.00 | 2023-08-31 | |
| Alichem | A019118206-25g |
1-(4-Bromo-2-nitrophenyl)ethanone |
90004-94-7 | 98% | 25g |
$1097.60 | 2023-08-31 | |
| Chemenu | CM194600-1g |
1-(4-bromo-2-nitrophenyl)ethan-1-one |
90004-94-7 | 95+% | 1g |
$122 | 2021-06-16 | |
| Chemenu | CM194600-5g |
1-(4-bromo-2-nitrophenyl)ethan-1-one |
90004-94-7 | 95+% | 5g |
$337 | 2021-06-16 | |
| Chemenu | CM194600-10g |
1-(4-bromo-2-nitrophenyl)ethan-1-one |
90004-94-7 | 95+% | 10g |
$542 | 2021-06-16 | |
| Chemenu | CM194600-25g |
1-(4-bromo-2-nitrophenyl)ethan-1-one |
90004-94-7 | 95+% | 25g |
$1047 | 2021-06-16 | |
| TRC | B699465-100mg |
1-(4-Bromo-2-nitrophenyl)ethanone |
90004-94-7 | 100mg |
$ 161.00 | 2023-04-18 | ||
| TRC | B699465-500mg |
1-(4-Bromo-2-nitrophenyl)ethanone |
90004-94-7 | 500mg |
$ 661.00 | 2023-04-18 | ||
| TRC | B699465-1g |
1-(4-Bromo-2-nitrophenyl)ethanone |
90004-94-7 | 1g |
$ 1800.00 | 2023-09-08 |
1-(4-Bromo-2-nitrophenyl)ethanone Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Acetic acid , Water
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Diethyl ether , Water ; 24 h, rt
Reference
- Regiospecific Synthesis of Nitroarenes by Palladium-Catalyzed Nitrogen-Donor-Directed Aromatic C-H NitrationLiu, Yun-Kui; Lou, Shao-Jie; Xu, Dan-Qian; Xu, Zhen-Yuan, Chemistry - A European Journal, 2010, 16(46), 13590-13593
Production Method 3
Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Dichloromethane , Water ; 24 h, 100 °C
Reference
- Palladium-Catalyzed Chelation-Assisted Aromatic C-H Nitration: Regiospecific Synthesis of Nitroarenes Free from the Effect of the Orientation RulesZhang, Wei; Lou, Shaojie; Liu, Yunkui; Xu, Zhenyuan, Journal of Organic Chemistry, 2013, 78(12), 5932-5948
1-(4-Bromo-2-nitrophenyl)ethanone Raw materials
- Ethanone, 1-(4-bromo-2-nitrophenyl)-, O-methyloxime, (1E)-
- Propanedioic acid, (4-bromo-2-nitrobenzoyl)-, diethyl ester
1-(4-Bromo-2-nitrophenyl)ethanone Preparation Products
1-(4-Bromo-2-nitrophenyl)ethanone Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
90004-94-7 (1-(4-Bromo-2-nitrophenyl)ethanone) Related Products
- 60773-45-7(Methanone, (2-amino-5-bromophenyl)(4-nitrophenyl)-)
- 970-18-3(METHANONE, BIS(4-BROMO-2-NITROPHENYL)-)
- 55737-11-6(1-(2-bromo-6-nitrophenyl)ethan-1-one)
- 126656-87-9(Bicyclo[3.2.1]octane-2,4-dione, 3-(4-bromo-2-nitrobenzoyl)-)
- 41877-24-1(1-(5-Bromo-2-nitrophenyl)ethanone)
- 5551-12-2(4-Bromo-2-nitrobenzaldehyde)
- 65247-26-9(METHANONE, (2-AMINO-5-BROMOPHENYL)(3,5-DINITROPHENYL)-)
- 137452-24-5(Methanone, (2-amino-4-bromophenyl)(4-bromo-2-nitrophenyl)-)
- 56759-31-0(1-(3-Bromo-2-nitrophenyl)ethanone)
- 351342-61-5(1-(4-Bromo-2-nitrophenyl)propan-1-one)
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