Cas no 2969-81-5 (ethyl 4-bromobutanoate)
ethyl 4-bromobutanoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 4-bromobutyrate
- 4-BROMOBUTYRIC ACID ETHYL ESTER
- 4-BROMO-N-BUTYRIC ACID ETHYL ESTER
- ETHYL 4-BROMO-N-BUTYRATE
- ETHYL GAMMA-BROMO-N-BUTYRATE
- ETHYL G-BROMOBUTYRATE
- GAMMA-BROMOBUTYRIC ACID ETHYL ESTER
- 4-Bromobutanoic acid, ethyl ester
- BrCH2CH2CH2C(O)OC2H5
- Butanoic acid, 4-bromo-, ethyl ester
- Ethyl gamma-bromobutyrate
- Ethyl 4-bromobutanoic acid
- 1-Bromo-3-(carboethoxy)propane
- 3-(Ethoxycarbonyl)propyl bromide
- Butyric acid, 4-bromo-, ethyl ester
- 4-Bromobutanoic acid ethyl
- 4-Bromobutyric acid ethyl
- ethyl 4-bromobutanoate
- Ethyl-4-bromo butanoate
- ethyl-4-bromobutyrate
- 1-bromo-3-carboethoxypropane
- 4-bromobutylic acid ethyl ester
- AI3-36601
- FT-0617879
- F11167
- BP-12819
- ethyl-4-bromobutanoate
- EZ8TY5JSD5
- ethyl 4-bromobutanate
- 4-bromobutanoic acid ethyl ester
- 4-Bromo-butyric acid ethyl ester
- ethyl 4- bromobutyrate
- NSC-133462
- 4-bromobutanoate ethyl ester
- ethyl4-bromobutyrate
- NSC 133462
- ethyl 4bromobutyrate
- Ethyl .gamma.-bromobutyrate
- B0999
- STR05803
- F0001-0919
- Ethyl 4-bromobutanoate #
- AM84904
- MFCD00000259
- 2969-81-5
- EINECS 221-005-6
- ethyl-4-bromo-butyrate
- Ethyl 4-bromobutyrate, 95%
- FT-0626276
- SCHEMBL85568
- DTXSID80183845
- ethyl4-bromobutanoate
- XBPOBCXHALHJFP-UHFFFAOYSA-
- B-5800
- EN300-43960
- NSC133462
- AKOS005066835
- ethyl 4-bromo-butyrate
- BP-31132
- InChI=1/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
- CS-W020133
- NS00022005
- DB-029752
-
- MDL: MFCD00000259
- Inchi: 1S/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
- InChI Key: XBPOBCXHALHJFP-UHFFFAOYSA-N
- SMILES: BrCCCC(=O)OCC
- BRN: 1749700
Computed Properties
- Exact Mass: 193.99400
- Monoisotopic Mass: 193.994
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 83.1
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.5
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- Color/Form: Not available
- Density: 1.363?g/mL?at 25?°C(lit.)
- Boiling Point: 200°C(lit.)
- Flash Point: Degrees Fahrenheit:195.8°F
Degrees Celsius:91°C - Refractive Index: n20/D 1.456(lit.)
- Water Partition Coefficient: Insoluble
- PSA: 26.30000
- LogP: 1.72460
- Sensitiveness: Sensitive to light
- Solubility: Slightly soluble in water
ethyl 4-bromobutanoate Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315,H319,H335
- Warning Statement: P261,P305+P351+P338
- Hazardous Material transportation number:2929
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26-S36-S37/39
- FLUKA BRAND F CODES:8-19
-
Hazardous Material Identification:
- HazardClass:3
- PackingGroup:III
- Storage Condition:Keep in dark place,Inert atmosphere,Room temperature
- Packing Group:I; II
- Hazard Level:6.1
- Risk Phrases:R22; R36/37/38
- Packing Group:I; II
- Safety Term:6.1
ethyl 4-bromobutanoate Customs Data
- HS CODE:2915900090
- Customs Data:
China Customs Code:
2915900090Overview:
2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%
ethyl 4-bromobutanoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 139400-50g |
Ethyl 4-bromobutyrate |
2969-81-5 | 95% | 50g |
£18.00 | 2022-02-28 | |
| Fluorochem | 139400-250g |
Ethyl 4-bromobutyrate |
2969-81-5 | 95% | 250g |
£54.00 | 2022-02-28 | |
| Fluorochem | 139400-500g |
Ethyl 4-bromobutyrate |
2969-81-5 | 95% | 500g |
£95.00 | 2022-02-28 | |
| Fluorochem | 139400-1kg |
Ethyl 4-bromobutyrate |
2969-81-5 | 95% | 1kg |
£150.00 | 2022-02-28 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E106908-100g |
ethyl 4-bromobutanoate |
2969-81-5 | 95% | 100g |
¥125.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E106908-2.5kg |
ethyl 4-bromobutanoate |
2969-81-5 | 95% | 2.5kg |
¥1597.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E106908-25g |
ethyl 4-bromobutanoate |
2969-81-5 | 95% | 25g |
¥48.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E106908-500g |
ethyl 4-bromobutanoate |
2969-81-5 | 95% | 500g |
¥434.90 | 2023-09-03 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R016783-100g |
ethyl 4-bromobutanoate |
2969-81-5 | 95% | 100g |
¥47 | 2024-05-24 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R016783-25g |
ethyl 4-bromobutanoate |
2969-81-5 | 95% | 25g |
¥29 | 2024-05-24 |
ethyl 4-bromobutanoate Suppliers
ethyl 4-bromobutanoate Related Literature
-
Serhan Turkyilmaz,Douglas R. Rice,Rachael Palumbo,Bradley D. Smith Org. Biomol. Chem. 2014 12 5645
-
Xiaoyan Tan,Yanlin Zhou,Li Shen,Han Jia,Xiaorong Tan RSC Adv. 2019 9 37067
-
Susan E. Hagen,Kun Liu,Yafei Jin,Lolita Piersimoni,Philip C. Andrews,Hollis D. Showalter Org. Biomol. Chem. 2018 16 8245
-
Snigdharani Panda,Chandra Sekhar Bhol,Sujit Kumar Bhutia,Sasmita Mohapatra J. Mater. Chem. B 2021 9 3666
-
Sisi Wu,Weijia Shi,Gang Zou New J. Chem. 2021 45 11269
Additional information on ethyl 4-bromobutanoate
Introduction to Ethyl 4-bromobutanoate (CAS No. 2969-81-5)
Ethyl 4-bromobutanoate, with the chemical formula C6H11BrO2 and CAS number 2969-81-5, is an important compound in the field of organic chemistry and pharmaceutical research. This ester derivative of butanoic acid features a bromine substituent at the fourth carbon position, making it a valuable intermediate in synthetic chemistry and drug development.
The structural uniqueness of ethyl 4-bromobutanoate lies in its ability to serve as a versatile building block for more complex molecules. The presence of the bromine atom introduces reactivity that can be exploited in various chemical transformations, including nucleophilic substitution reactions, cross-coupling reactions, and other synthetic pathways. These properties have made it a subject of interest in both academic research and industrial applications.
In recent years, ethyl 4-bromobutanoate has been explored in the development of novel pharmaceuticals. Its structural motif is found in several bioactive compounds, where the ester group and bromine atom contribute to the pharmacological activity. For instance, researchers have utilized ethyl 4-bromobutanoate as a precursor in the synthesis of compounds with potential antimicrobial and anti-inflammatory properties. The bromine atom, in particular, has been shown to enhance binding affinity to biological targets, making it a crucial feature in drug design.
The compound's role in medicinal chemistry extends beyond its use as a direct precursor. Ethyl 4-bromobutanoate has been employed in the preparation of chiral centers, which are essential for many biologically active molecules. The ability to introduce stereocenters with high enantiomeric purity is critical for developing drugs that interact selectively with biological receptors. This aspect of ethyl 4-bromobutanoate has garnered attention in the synthesis of enantiomerically pure pharmaceuticals.
Recent advancements in synthetic methodologies have further highlighted the utility of ethyl 4-bromobutanoate. Catalytic processes have been developed to streamline its incorporation into more complex molecular frameworks, improving yield and efficiency. These innovations have not only accelerated research but also opened new avenues for drug discovery. For example, palladium-catalyzed cross-coupling reactions using ethyl 4-bromobutanoate have enabled the construction of intricate heterocyclic compounds, which are known for their diverse biological activities.
The compound's significance also extends to materials science, where it has been investigated for its potential applications in polymer chemistry and material design. The ester group provides a site for polymerization reactions, allowing for the creation of novel polymeric materials with tailored properties. These materials have potential uses in coatings, adhesives, and other industrial applications where specific chemical functionalities are required.
In conclusion, ethyl 4-bromobutanoate (CAS No. 2969-81-5) is a multifaceted compound with broad applications in pharmaceuticals and materials science. Its unique structural features make it a valuable intermediate in synthetic chemistry, enabling the development of novel bioactive molecules and advanced materials. As research continues to uncover new applications for this compound, its importance in both academic and industrial settings is likely to grow.
2969-81-5 (ethyl 4-bromobutanoate) Related Products
- 3540-49-6(Butanoic acid, 4-bromo-, 2-ethoxyethyl ester)
- 3540-75-8(Butyl 4-Bromobutanoate)
- 28598-81-4(Ethyl 9-bromononanoate)
- 25542-62-5(Ethyl 6-bromohexanoate)
- 29823-18-5(Ethyl 7-bromoheptanoate)
- 29823-21-0(Ethyl 8-bromooctanoate)
- 14660-52-7(5-Bromopentanoic Acid Ethyl Ester)
- 2881-62-1(Sodium acetylide(Na2(C2)) (6CI,7CI,8CI,9CI))
- 41049-09-6(Hexanoic acid,6-bromo-, pentyl ester)
- 87213-55-6(Hexanoic acid, 6-bromo-, 1,6-hexanediyl ester)