Determine the necessary mass, volume, or concentration for preparing a solution.
laser grade, ≥97% laser grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C Ships Ice chest + Ice pads 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 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504766592 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504766592 |
| Canonical Smiles | C1=CC=C(C(=C1)C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N)C(=O)O.Cl |
| IUPAC Name | 2-(3-amino-6-iminoxanthen-9-yl)benzoic acid;hydrochloride |
| InChIKey | JNGRENQDBKMCCR-UHFFFAOYSA-N |
| INCHI | 1S/C20H14N2O3.ClH/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;/h1-10,21H,22H2,(H,23,24);1H |
| Isomeric SMILES | C1=CC=C(C(=C1)C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N)C(=O)O.Cl |
| WGK Germany | 3 |
| Alternate CAS | 30378-58-6 |
| Molecular Weight | 366.8 |
| Beilstein | 4631860 |
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 | Organoheterocyclic compounds |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Dibenzopyrans |
| Direct Parent | Xanthenes |
| Alternative Parents | Benzoic acids Benzoyl derivatives Heteroaromatic compounds Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic zwitterion - Organic salt - Amine - Organic oxygen compound - Organic nitrogen compound - Organic chloride salt - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jun 15, 2026 | R299349 | |
| Certificate of Analysis | Jun 15, 2026 | R299349 | |
| Certificate of Analysis | Jun 15, 2026 | R299349 | |
| Certificate of Analysis | Jun 15, 2026 | R299349 | |
| Certificate of Analysis | Oct 11, 2025 | R299349 | |
| Certificate of Analysis | Feb 07, 2025 | R299349 | |
| Certificate of Analysis | Aug 11, 2022 | R299349 | |
| Certificate of Analysis | Aug 11, 2022 | R299349 | |
| Certificate of Analysis | Aug 11, 2022 | R299349 | |
| Certificate of Analysis | Dec 07, 2021 | R299349 |
| Solubility | solubility ethanol: soluble;methanol: soluble |
|---|---|
| Sensitivity | Light sensitive |
| Melt Point(°C) | >300°C |
| Molecular Weight | 366.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 366.077 Da |
| Monoisotopic Mass | 366.077 Da |
| Topological Polar Surface Area | 96.400 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 691.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
| 1. Nadia A. Samak, Mohamed S. Selim, Zhifeng Hao, Jianmin Xing. (2019) Controlled-synthesis of alumina-graphene oxide nanocomposite coupled with DNA/ sulfide fluorophore for eco-friendly “Turn off/on” H2S nanobiosensor. TALANTA, [PMID:32070568] [10.1016/j.talanta.2019.120655] |
| 2. Jia Huang, Gang Nie, Yaobin Ding. (2019) Metal-Free Enhanced Photocatalytic Activation of Dioxygen by g-C3N4 Doped with Abundant Oxygen-Containing Functional Groups for Selective N-Deethylation of Rhodamine B. Catalysts, 10 (1): (6). [PMID:] [10.3390/catal10010006] |
| 3. Youshen Wu, Hui Zhang, Aizhao Pan, Qi Wang, Yanfeng Zhang, Guijiang Zhou, Ling He. (2018) White-Light-Emitting Melamine-Formaldehyde Microspheres through Polymer-Mediated Aggregation and Encapsulation of Graphene Quantum Dots. Advanced Science, 6 (2): (1801432). [PMID:30693186] [10.1002/advs.201801432] |
| 4. Wenwei Chen, Yixi Zhuang, Le Wang, Ying Lv, Jianbin Liu, Tian-Liang Zhou, Rong-Jun Xie. (2018) Color-Tunable and High-Efficiency Dye-Encapsulated Metal–Organic Framework Composites Used for Smart White-Light-Emitting Diodes. ACS Applied Materials & Interfaces, [PMID:29770686] [10.1021/acsami.8b04937] |
| 5. Pan Fang, Jian-Zhang Pan, Qun Fang. (2017) A robust and extendable sheath flow interface with minimal dead volume for coupling CE with ESI-MS. TALANTA, [PMID:29332826] [10.1016/j.talanta.2017.12.046] |
| 6. Kangming Xiong, Fangjun Huo, Caixia Yin, Yueying Chu, Yutao Yang, Jianbin Chao, Anmin Zheng. (2015) A novel recognition mechanism supported by experiment and theoretical calculation for hypochlorites recognition and its practical application. SENSORS AND ACTUATORS B-CHEMICAL, [PMID:] [10.1016/j.snb.2015.10.047] |
| 7. Yan Li, Youshen Wu, Cheng Luo, Bo Wang, Daocheng Wu. (2015) Rewritable magnetic fluorescence-encoded microspheres: preparation, characterization, and recycling. Journal of Materials Chemistry C, 3 (31): (8262-8271). [PMID:] [10.1039/C5TC01301A] |
| 8. Hao Qin, Pengpeng Lu, Jingyang Xu, Kai Jiang, Danying Zhao, Zhenhua Jiang, Jie Zhao, Yunhe Zhang. (2025) Robust superhydrophobic PEEK surface with stable antifouling and self-cleaning performances. APPLIED SURFACE SCIENCE, [PMID:] [10.1016/j.apsusc.2025.162326] |
| 9. Huan Zhao, Qifeng Lin, Li Huang, Yunfeng Zhai, Yuan Liu, Yan Deng, Enben Su, Nongyue He. (2021) Ultrasensitive chemiluminescence immunoassay with enhanced precision for the detection of cTnI amplified by acridinium ester-loaded microspheres and internally calibrated by magnetic fluorescent nanoparticles. Nanoscale, 13 (5): (3275-3284). [PMID:33533772] [10.1039/D0NR08008J] |
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