HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 687126Generated: October 23, 2026
3-Nitrocinnamic acid
AKOS B004090 · RARECHEM BK HC P253 · OTAVA-BB BB7020401717 · LABOTEST-BB LT00005570 · (E)-3-Nitrocinnamic acid · (E)-m-Nitrocinnamic acid · TRANS-3-NITROCINNAMIC ACID · 3-(3-NITROPHENYL)ACRYLIC ACID
https://huagongshe.com/en/chemical/687126
Identifiers & Physical Properties
| CAS No. | 1772-76-5 |
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| Molecular formula | C9H7NO4 |
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| Average molar mass | 193.16 g/mol |
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| Monoisotopic mass | 193.0375077 g/mol |
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| SMILES | O=C(O)/C=C/c1cccc([N+](=O)[O-])c1 |
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| InChIKey | WWXMVRYHLZMQIG-SNAWJCMRSA-N |
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| PubChem CID | 687126 |
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| ChEMBL | CHEMBL1771753 |
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| ChEBI | CHEBI:60706 |
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| EC No. | 209-104-2 |
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| DTXSID | DTXSID40901345 |
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Chemical & Physical Properties
| XLogP | 1.5 |
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| Topological polar surface area | 83.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 256 |
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| Chemical classes | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
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| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
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| Physical Description | Off-white odorless powder[Alfa Aesar MSDS] |
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| Melting point | 200-202 °C(lit.) |
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| Boiling point | 75-76 °C(Press: 0.35 Torr) |
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| Density | 1.411±0.06 g/cm3(Predicted) |
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| Storage conditions | Storage temp. 2-8°C |
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| Solubility | slightly sol. in Alcohol |
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| Physical state | powder to crystal |
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| pKa (acidity coefficient) | 4.13±0.10(Predicted) |
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| Color | White to Light yellow |
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| FDA UNII | Z5WU65J930 |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
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| Safety statements (S) | 22-24/25 |
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| Water hazard class (WGK) | 3 |
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| RTECS number | GE0352000 |
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| Customs code | 2916.39.7900 |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatory information | 2-Propenoic acid, 3-(3-nitrophenyl)-, (E)-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazards summary | Causes ataxia, changes in motor activity, and rigidity in intraperitoneal lethal-dose studies of mice (lethal-dose > 250 mg/kg)[RTECS] A genotoxic nitro compound. [ChemIDplus] A skin and strong eye irritant[Alfa Aesar MSDS] |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Water hazard class (WGK) | 3 |
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| RTECS number | GE0352000 |
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| Customs code | 2916.39.7900 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Safety statements (S) | 22-24/25 |
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| GHS hazard statements | H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
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