Cas no 4124-30-5 (Dichloroacetic anhydride)
Dichloroacetic anhydride Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2,2-dichloro-, 1,1'-anhydride
- Aceticacid, dichloro-, anhydride (6CI,7CI,8CI,9CI)
- Dichloroacetic acid anhydride
- Dichloroacetic anhydride
- NSC 401832
- (2,2-dichloroacetyl) 2,2-dichloroacetate
- 2,2'-Dichloroacetic anhydride
- 2,2-Dichloroacetic anhydride
- EINECS 223-924-8
- NSC-401832
- Anhydrid kyseliny dichloroctove
- Anhydrid kyseliny dichloroctove [Czech]
- Dichloroacetic anhydride, technical grade, 85%
- UNII-MB3OGR64IN
- WLN: GYGVOVYGG
- Acetic acid, 2,2-dichloro-, 1,1'-anhydride
- MB3OGR64IN
- MFCD00000842
- AKOS015913191
- NSC401832
- FT-0624699
- 4124-30-5
- Acetic acid, dichloro-, anhydride
- InChI=1/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
- NS00030946
- SCHEMBL187025
- Dichloroacetic anhydride, technical, >=94% (T)
- Dichloroacetetic anhydride
- DTXSID5041011
- RQHMQURGSQBBJY-UHFFFAOYSA-
- BRN 0512173
- Q27283787
-
- MDL： MFCD00000842
- Inchi： 1S/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
- InChI Key： RQHMQURGSQBBJY-UHFFFAOYSA-N
- SMILES： ClC(C(=O)OC(C(Cl)Cl)=O)Cl
Computed Properties
- Exact Mass: 237.87600
- Monoisotopic Mass: 237.876
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 149
- 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: 2.6
- Topological Polar Surface Area: 43.4A^2
Experimental Properties
- Color/Form: Not available
- Density: 1.574?g/mL?at 25?°C(lit.)
- Melting Point: ~30?°C
- Boiling Point: 214-216?°C(lit.)
- Flash Point: Degrees Fahrenheit:230°F
Degrees Celsius:110°C - Refractive Index: n20/D 1.483(lit.)
- PSA: 43.37000
- LogP: 1.66360
- Solubility: Not available
- Sensitiveness: Moisture Sensitive
- Vapor Pressure: 0.2±0.4 mmHg at 25°C
Dichloroacetic anhydride Security Information
-
Symbol:
- Signal Word：Danger
- Hazard Statement： H311-H314
- Warning Statement： P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- Hazardous Material transportation number：UN 2923 8/PG 3
- WGK Germany：3
- Hazard Category Code： 20/21/22-34
- Safety Instruction： 26-27-28-36/37/39-45
- FLUKA BRAND F CODES：21
- RTECS：AG6300000
-
Hazardous Material Identification：
- HazardClass：8
- PackingGroup：II
- Packing Group：II
- Risk Phrases：R21; R34
- Safety Term：S25;S36/37/39;S45
- Packing Group：II
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Dichloroacetic anhydride 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%
Dichloroacetic anhydride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D189760-2.5g |
Dichloroacetic anhydride |
4124-30-5 | 2.5g |
$ 167.00 | 2023-09-08 | ||
| TRC | D189760-5g |
Dichloroacetic anhydride |
4124-30-5 | 5g |
$442.00 | 2023-05-18 | ||
| TRC | D189760-500mg |
Dichloroacetic anhydride |
4124-30-5 | 500mg |
$ 87.00 | 2023-09-08 | ||
| TRC | D189760-1g |
Dichloroacetic anhydride |
4124-30-5 | 1g |
$ 98.00 | 2023-09-08 | ||
| TRC | D189760-2500mg |
Dichloroacetic anhydride |
4124-30-5 | 2500mg |
$ 145.00 | 2023-02-02 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1582690-10g |
2,2-Dichloroacetic anhydride |
4124-30-5 | 98% | 10g |
￥1176.00 | 2024-05-14 | |
| A2B Chem LLC | AB72650-5g |
DICHLOROACETIC ANHYDRIDE |
4124-30-5 | 5g |
$664.00 | 2024-04-20 | ||
| A2B Chem LLC | AB72650-10g |
DICHLOROACETIC ANHYDRIDE |
4124-30-5 | 10g |
$1049.00 | 2024-04-20 |
Dichloroacetic anhydride Related Literature
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Salvatore Savino,Valentina Gandin,James D. Hoeschele,Cristina Marzano,Giovanni Natile,Nicola Margiotta Dalton Trans. 2018 47 7144
-
Huayun Shi,Cinzia Imberti,Guy J. Clarkson,Peter J. Sadler Inorg. Chem. Front. 2020 7 3533
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3. Acylation. Part XXVI. The kinetics and mechanism of the addition of carboxylic acids to ketens in diethyl ether and in dichlorobenzene solutionJ. M. Briody,P. J. Lillford,D. P. N. Satchell J. Chem. Soc. B 1968 885
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4. 299. Quantitative studies of the reactivities of mixed carboxylic anhydrides. Part III. The hydrolysis and some acylation reactions of a series of acetic chloroaliphatic acid anhydridesA. R. Emery,V. Gold J. Chem. Soc. 1950 1455
-
Haihua Xiao,Lesan Yan,Yu Zhang,Ruogu Qi,Wenliang Li,Rui Wang,Shi Liu,Yubin Huang,Yuxin Li,Xiabin Jing Chem. Commun. 2012 48 10730
Additional information on Dichloroacetic anhydride
Research Brief on Dichloroacetic Anhydride (CAS: 4124-30-5) in Chemical and Biomedical Applications
Dichloroacetic anhydride (CAS: 4124-30-5) is a chemical compound of significant interest in the fields of organic synthesis and biomedical research. Recent studies have highlighted its utility as a versatile reagent in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. This research brief aims to summarize the latest advancements and applications of dichloroacetic anhydride, with a focus on its role in drug development and chemical biology.
One of the most notable applications of dichloroacetic anhydride is its use as an acylating agent in the synthesis of dichloroacetate (DCA) derivatives. DCA has garnered attention for its potential therapeutic effects in metabolic disorders and cancer. Recent research has demonstrated that dichloroacetic anhydride can efficiently introduce dichloroacetyl groups into various substrates, enabling the development of novel DCA-based prodrugs with improved pharmacokinetic properties.
In a 2023 study published in the Journal of Medicinal Chemistry, researchers utilized dichloroacetic anhydride to synthesize a series of DCA derivatives targeting mitochondrial pyruvate dehydrogenase kinase (PDK). The study reported that these derivatives exhibited enhanced cellular uptake and selectivity, leading to promising anti-cancer activity in preclinical models. The use of dichloroacetic anhydride as a key intermediate in this synthesis underscores its importance in modern drug discovery.
Beyond its pharmaceutical applications, dichloroacetic anhydride has also been explored in materials science. A recent publication in ACS Applied Materials & Interfaces described its use in the surface modification of polymers to impart unique chemical properties. The anhydride's reactivity with hydroxyl and amine groups makes it a valuable tool for creating functionalized materials with applications in biosensors and drug delivery systems.
Despite its utility, handling dichloroacetic anhydride requires careful consideration of safety protocols due to its corrosive nature and potential toxicity. Recent advancements in synthetic methodologies have focused on developing greener and more sustainable approaches to its production and application. For instance, a 2024 study in Green Chemistry proposed a solvent-free synthesis route for dichloroacetic anhydride, reducing environmental impact while maintaining high yield and purity.
In conclusion, dichloroacetic anhydride (CAS: 4124-30-5) continues to be a compound of high relevance in chemical and biomedical research. Its role in the synthesis of therapeutic agents and functional materials highlights its versatility and importance. Future research directions may include further optimization of its synthetic routes and exploration of novel applications in targeted drug delivery and chemical biology.
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