Cas no 34545-20-5 (3-Bromo-4-methyl-5-nitrobenzoic acid)
3-Bromo-4-methyl-5-nitrobenzoic acid is a brominated and nitrated benzoic acid derivative with a methyl substituent, serving as a versatile intermediate in organic synthesis. Its distinct functional groups—carboxylic acid, bromo, nitro, and methyl—make it valuable for constructing complex molecules, particularly in pharmaceutical and agrochemical research. The bromo and nitro groups enhance reactivity, facilitating nucleophilic aromatic substitution or reduction reactions, while the carboxylic acid allows for further derivatization. This compound’s well-defined structure and high purity ensure consistent performance in multi-step syntheses. It is particularly useful in the development of fine chemicals and active pharmaceutical ingredients (APIs) requiring precise functionalization.
34545-20-5 structure
Product Name:3-Bromo-4-methyl-5-nitrobenzoic acid
CAS No:34545-20-5
MF:C8H6BrNO4
MW:260.041541576386
MDL:MFCD02041260
CID:1468876
PubChem ID:3904035
Update Time:2025-10-08
3-Bromo-4-methyl-5-nitrobenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Bromo-4-methyl-5-nitrobenzoic acid
- 5-bromo-4-methyl-3-nitrobenzoic acid
- RL04055
- CTK1G8996
- SureCN1472954
- 3-Brom-4-methyl-5-nitro-benzoesaeure
- 3-bromo-4-methyl-5-nitro-benzoic acid
- AG-F-91096
- 5-Bromo-4-methyl-thiophene-2-carboxylic acid
- QC-5986
- 5-bromo-4-methyl-2-thiophenecarboxylic acid
- AK120034
- 5-Brom-3-nitro-p-toluylsaeure
- 3-NITRO-4-METHYL-5-BROMOBENZOIC ACID
- Benzoic acid, 3-bromo-4-methyl-5-nitro-
- JEOLKHVBUQVYCK-UHFFFAOYSA-N
- AK139836
- ST018692
- AB0095327
- DB-069022
- A875013
- 3-BROMO-4-METHYL-5-NITROBENZOICACID
- AMY24673
- SCHEMBL2894998
- ALBB-023168
- DTXSID801290303
- SY075077
- AKOS003260945
- DS-6781
- 34345-20-5
- 34545-20-5
- MFCD02041260
- CS-0061180
- EN300-116715
- A853987
-
- MDL： MFCD02041260
- Inchi： 1S/C8H6BrNO4/c1-4-6(9)2-5(8(11)12)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)
- InChI Key： JEOLKHVBUQVYCK-UHFFFAOYSA-N
- SMILES： BrC1=CC(C(=O)O)=CC(=C1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 258.94798
- Monoisotopic Mass: 258.94802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 252
- 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: 2.2
- Topological Polar Surface Area: 83.1
Experimental Properties
- Density: 1.777±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Very slightly soluble (0.14 g/l) (25 o C),
- PSA: 80.44
3-Bromo-4-methyl-5-nitrobenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-MO519-250mg |
3-Bromo-4-methyl-5-nitrobenzoic acid |
34545-20-5 | 97% | 250mg |
161CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-MO519-5g |
3-Bromo-4-methyl-5-nitrobenzoic acid |
34545-20-5 | 97% | 5g |
1080.0CNY | 2021-07-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-MO519-1g |
3-Bromo-4-methyl-5-nitrobenzoic acid |
34545-20-5 | 97% | 1g |
271.0CNY | 2021-07-10 | |
| Fluorochem | 080169-250mg |
3-Bromo-4-methyl-5-nitrobenzoic acid |
34545-20-5 | 95% | 250mg |
￡15.00 | 2022-03-01 | |
| Fluorochem | 080169-1g |
3-Bromo-4-methyl-5-nitrobenzoic acid |
34545-20-5 | 95% | 1g |
￡37.00 | 2022-03-01 | |
| Fluorochem | 080169-5g |
3-Bromo-4-methyl-5-nitrobenzoic acid |
34545-20-5 | 95% | 5g |
￡115.00 | 2022-03-01 | |
| Fluorochem | 080169-10g |
3-Bromo-4-methyl-5-nitrobenzoic acid |
34545-20-5 | 95% | 10g |
￡195.00 | 2022-03-01 | |
| ChemScence | CS-0061180-1g |
3-Bromo-4-methyl-5-nitrobenzoic acid |
34545-20-5 | 98.62% | 1g |
$47.0 | 2022-04-27 | |
| ChemScence | CS-0061180-5g |
3-Bromo-4-methyl-5-nitrobenzoic acid |
34545-20-5 | 98.62% | 5g |
$133.0 | 2022-04-27 | |
| ChemScence | CS-0061180-10g |
3-Bromo-4-methyl-5-nitrobenzoic acid |
34545-20-5 | 98.62% | 10g |
$228.0 | 2022-04-27 |
3-Bromo-4-methyl-5-nitrobenzoic acid Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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