≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Description
2-(4-Nitrophenyl)propionic acid may be used in chemical synthesis.
| Pubchem Sid | 508807901 |
|---|---|
| 정식 스마일 | CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O |
| IUPAC Name | 2-(4-nitrophenyl)propanoic acid |
| InChIKey | RBSRRICSXWXMRC-UHFFFAOYSA-N |
| INCHI | 1S/C9H9NO4/c1-6(9(11)12)7-2-4-8(5-3-7)10(13)14/h2-6H,1H3,(H,11,12) |
| 이성체 SMILES | CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O |
| 분자량 | 195.17 |
| Reaxy-Rn | 1877448 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1877448&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| 분류 | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | Nitrobenzenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 2-phenylpropanoic-acid - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 날짜 | 항목 |
|---|---|---|---|
 I2420592 | Certificate of Analysis | Aug 30, 2024 | N467183 |
| I2420667 | Certificate of Analysis | Aug 30, 2024 | N467183 |
| I2420668 | Certificate of Analysis | Aug 30, 2024 | N467183 |
| I2420669 | Certificate of Analysis | Aug 30, 2024 | N467183 |
| I2420670 | Certificate of Analysis | Aug 30, 2024 | N467183 |
| I2420671 | Certificate of Analysis | Aug 30, 2024 | N467183 |
| 발화점(°F) | Not applicable |
|---|---|
| 발화점(°C) | Not applicable |
| 녹는점(°C) | 88-89℃ (lit.) |
| 분자량 | 195.170 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 195.053 Da |
| Monoisotopic Mass | 195.053 Da |
| Topological Polar Surface Area | 83.100 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 227.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Songlin Chen, Junchao Zhu, Chenlei Ma, Beibei Zhu, Huiyun Qiu, Shengqiang Tong. (2024) Mercapto-β-cyclodextrin covalent organic frameworks for enantioselective liquid-liquid extraction. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [PMID:] [10.1016/j.colsurfa.2024.133496] |
