Cas no 1261931-45-6 (3-(4-Carboxyphenyl)-5-nitrobenzoic acid)
3-(4-Carboxyphenyl)-5-nitrobenzoic acid is a dicarboxylic acid derivative featuring both nitro and carboxyl functional groups, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its rigid aromatic structure and dual carboxyl groups enable precise modifications for applications in coordination chemistry, ligand design, and material science. The nitro group enhances reactivity, facilitating further functionalization or reduction to amine derivatives. This compound’s high purity and stability ensure consistent performance in demanding reactions. Its bifunctional nature allows for selective reactivity, making it valuable for constructing complex molecular architectures or as a precursor in drug development. Suitable for controlled synthesis under standard laboratory conditions.
1261931-45-6 structure
Product Name:3-(4-Carboxyphenyl)-5-nitrobenzoic acid
CAS No:1261931-45-6
MF:C14H9NO6
MW:287.224364042282
MDL:MFCD18320292
CID:1025234
PubChem ID:53226198
Update Time:2025-10-13
3-(4-Carboxyphenyl)-5-nitrobenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-Nitro-[1,1'-biphenyl]-3,4'-dicarboxylic acid
- 3-(4-carboxyphenyl)-5-nitrobenzoic acid
- 5-Nitro-[1,1/'-biphenyl]-3,4/'-dicarboxylic acid
- 1261931-45-6
- 5-Nitro-[1,1'-biphenyl]-3,4'-dicarboxylicacid
- AKOS015999089
- DTXSID00689930
- BS-20217
- [1,1'-Biphenyl]-3,4'-dicarboxylic acid, 5-nitro-
- CS-0210784
- MFCD18320292
- 5-Nitro[1,1'-biphenyl]-3,4'-dicarboxylic acid
- 3-(4-Carboxyphenyl)-5-nitrobenzoic acid
-
- MDL： MFCD18320292
- Inchi： 1S/C14H9NO6/c16-13(17)9-3-1-8(2-4-9)10-5-11(14(18)19)7-12(6-10)15(20)21/h1-7H,(H,16,17)(H,18,19)
- InChI Key： IMMMKRJSBMQYKG-UHFFFAOYSA-N
- SMILES： OC(C1=CC(=CC(=C1)C1C=CC(C(=O)O)=CC=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 287.04300
- Monoisotopic Mass: 287.04298701g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 424
- 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: 2.4
- Topological Polar Surface Area: 120?2
Experimental Properties
- Density: 1.5±0.1 g/cm3
- Boiling Point: 561.1±50.0 °C at 760 mmHg
- Flash Point: 237.9±18.6 °C
- PSA: 120.42000
- LogP: 3.18140
- Vapor Pressure: 0.0±1.6 mmHg at 25°C
3-(4-Carboxyphenyl)-5-nitrobenzoic acid Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-(4-Carboxyphenyl)-5-nitrobenzoic acid Customs Data
- HS CODE：2917399090
- Customs Data：
China Customs Code:
2917399090Overview:
2917399090 Other aromatic polycarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture
Summary:
2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%
3-(4-Carboxyphenyl)-5-nitrobenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 212872-1g |
5-Nitro-[1,1'-biphenyl]-3,4'-dicarboxylic acid |
1261931-45-6 | 95% | 1g |
￡250.00 | 2022-03-01 | |
| Fluorochem | 212872-5g |
5-Nitro-[1,1'-biphenyl]-3,4'-dicarboxylic acid |
1261931-45-6 | 95% | 5g |
￡1000.00 | 2022-03-01 | |
| Alichem | A019119870-5g |
5-Nitro-[1,1'-biphenyl]-3,4'-dicarboxylic acid |
1261931-45-6 | 95% | 5g |
828.40 USD | 2021-06-16 | |
| TRC | C181440-100mg |
3-(4-Carboxyphenyl)-5-nitrobenzoic acid |
1261931-45-6 | 100mg |
$ 133.00 | 2023-04-18 | ||
| TRC | C181440-250mg |
3-(4-Carboxyphenyl)-5-nitrobenzoic acid |
1261931-45-6 | 250mg |
$ 259.00 | 2023-04-18 | ||
| TRC | C181440-500mg |
3-(4-Carboxyphenyl)-5-nitrobenzoic acid |
1261931-45-6 | 500mg |
$ 391.00 | 2023-04-18 | ||
| TRC | C181440-1g |
3-(4-Carboxyphenyl)-5-nitrobenzoic acid |
1261931-45-6 | 1g |
$ 552.00 | 2023-04-18 | ||
| Ambeed | A519840-1g |
5-Nitro-[1,1'-biphenyl]-3,4'-dicarboxylic acid |
1261931-45-6 | 98% | 1g |
$252.0 | 2024-04-25 | |
| Crysdot LLC | CD12160848-5g |
5-Nitro-[1,1'-biphenyl]-3,4'-dicarboxylic acid |
1261931-45-6 | 95+% | 5g |
$752 | 2024-07-23 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1281454-1g |
3-(4-Carboxyphenyl)-5-nitrobenzoic acid |
1261931-45-6 | 98% | 1g |
￥3078.00 | 2024-08-09 |
3-(4-Carboxyphenyl)-5-nitrobenzoic acid Related Literature
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
1261931-45-6 (3-(4-Carboxyphenyl)-5-nitrobenzoic acid) Related Products
- 5737-85-9(3'-Nitro-[1,1'-biphenyl]-4-carboxylic acid)
- 1000587-29-0(4'-Methyl-5-nitro-1,1'-biphenyl-3-carboxylic Acid)
- 1261952-79-7(2'-Methyl-5-nitro-1,1'-biphenyl-3-carboxylic Acid)
- 149505-87-3(3'-Nitrobiphenyl-3-carboxylic acid)
- 92-89-7(4'-Nitro1,1'-biphenyl-4-carboxylic Acid)
- 75578-76-6([1,1'-Biphenyl]-4-carboxylicacid, 4'-nitro-, sodium salt (1:1))
- 20246-81-5(4,4-Dinitrodiphenic Acid)
- 144949-59-7([1,1'-Biphenyl]-3,3'-dicarboxylicacid, 5,5'-dinitro-)
- 1261953-03-0(3'-Methyl-5-nitro-1,1'-biphenyl-3-carboxylic Acid)
- 729-01-1(4'-Nitro-3-biphenylcarboxylic Acid)
Recommended suppliers
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
鉅瀾化工科技(青島)有限公司
Gold Member
Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
