Cas no 213598-20-0 (3-Bromo-4-isopropoxybenzoic acid)
3-Bromo-4-isopropoxybenzoic acid is a versatile aromatic carboxylic acid derivative, characterized by the presence of a bromo substituent and an isopropoxy group on the benzene ring. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The bromo group enhances reactivity for further functionalization via cross-coupling reactions, while the isopropoxy moiety contributes to steric and electronic modulation. Its benzoic acid core allows for straightforward derivatization into esters, amides, or other carboxylate-based compounds. The product is typically supplied with high purity, ensuring consistent performance in synthetic applications. Its stability and well-defined structure make it a reliable building block for research and industrial processes.
213598-20-0 structure
Product Name:3-Bromo-4-isopropoxybenzoic acid
CAS No:213598-20-0
MF:C10H11BrO3
MW:259.096542596817
MDL:MFCD07187811
CID:66881
PubChem ID:16641239
Update Time:2025-06-09
3-Bromo-4-isopropoxybenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Bromo-4-isopropoxybenzoic acid
- 3-bromo-4-propan-2-yloxybenzoic acid
- 3-bromo-4-(methylethoxy)benzoic acid
- 3-bromo-4-(propan-2-yloxy)benzoic acid
- 3-bromo-4-isopropoxy-benzoic acid
- ARONIS011047
- NRSJYUSYBNFGAK-UHFFFAOYSA-N
- SBB067735
- 0861AB
- STL066188
- BBL023158
- 3-bromanyl-4-propan-2-yloxy-benzoic acid
- AB0000011
- DTXSID00586374
- MFCD07187811
- A815291
- Y10584
- AMY32663
- SCHEMBL401131
- AKOS000319460
- DS-17742
- Azlocillinsodium
- 3-Bromo-4-[(1-methylethyl)oxy]benzoic acid
- CS-0154163
- FT-0658094
- AB01321082-02
- NCGC00326324-01
- 213598-20-0
- 3-Bromo-4-[(propan-2-yl)oxy]benzoic acid
- DB-066491
- 3-Bromo-4-isopropoxybenzoicacid
-
- MDL： MFCD07187811
- Inchi： 1S/C10H11BrO3/c1-6(2)14-9-4-3-7(10(12)13)5-8(9)11/h3-6H,1-2H3,(H,12,13)
- InChI Key： NRSJYUSYBNFGAK-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=O)O)C=CC=1OC(C)C
Computed Properties
- Exact Mass: 257.98900
- Monoisotopic Mass: 257.989
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 206
- 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
- Topological Polar Surface Area: 46.5
- XLogP3: 2.9
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.5±0.1 g/cm3
- Melting Point: No data available
- Boiling Point: 342.0±27.0 °C at 760 mmHg
- Flash Point: 160.6±23.7 °C
- Refractive Index: 1.56
- PSA: 46.53000
- LogP: 2.93450
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
3-Bromo-4-isopropoxybenzoic acid 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)
3-Bromo-4-isopropoxybenzoic acid Customs Data
- HS CODE：2918990090
- Customs Data：
China Customs Code:
2918990090Overview:
2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
3-Bromo-4-isopropoxybenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 024110-1g |
3-Bromo-4-isopropoxybenzoic acid |
213598-20-0 | 1g |
$112.00 | 2023-09-11 | ||
| Matrix Scientific | 024110-500mg |
3-Bromo-4-isopropoxybenzoic acid |
213598-20-0 | 500mg |
$73.00 | 2023-09-11 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-HT017-1g |
3-Bromo-4-isopropoxybenzoic acid |
213598-20-0 | 95+% | 1g |
495.0CNY | 2021-07-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-HT017-5g |
3-Bromo-4-isopropoxybenzoic acid |
213598-20-0 | 95+% | 5g |
3707CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-HT017-50mg |
3-Bromo-4-isopropoxybenzoic acid |
213598-20-0 | 95+% | 50mg |
61.0CNY | 2021-07-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-HT017-250mg |
3-Bromo-4-isopropoxybenzoic acid |
213598-20-0 | 95+% | 250mg |
467CNY | 2021-05-08 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B841980-1g |
3-Bromo-4-isopropoxybenzoic acid |
213598-20-0 | 95% | 1g |
771.30 | 2021-05-17 | |
| TRC | B801485-10mg |
3-Bromo-4-isopropoxybenzoic Acid |
213598-20-0 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B801485-50mg |
3-Bromo-4-isopropoxybenzoic Acid |
213598-20-0 | 50mg |
$ 115.00 | 2022-06-06 | ||
| TRC | B801485-100mg |
3-Bromo-4-isopropoxybenzoic Acid |
213598-20-0 | 100mg |
$ 185.00 | 2022-06-06 |
3-Bromo-4-isopropoxybenzoic acid Related Literature
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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