Cas no 495-18-1 (Benzohydroxamic Acid)
Benzohydroxamic Acid Chemical and Physical Properties
Names and Identifiers
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- N-Hydroxybenzamide
- N-Benzoylhydroxylamine
- Benzhydroxamic acid
- Benzohydroxamic Acid
- Benzamide, N-hydroxy-
- N-Hydroxy-benzamide
- benzohydroxamate
- BENZOHYROXAMICACID
- benzoyl hydroxylamine
- benzoylhydroxamic acid
- BHAM
- hydroxy benzamide
- n-hydroxy-benzamid
- BENZOYL HYDROXIMIC ACID
- CAS-495-18-1
- DB01924
- DTXSID7025421
- 122231-61-2
- 3uxk
- STR01815
- EINECS 207-797-6
- benzohydroxamic
- NSC 147248
- 495-18-1
- AKOS004905605
- NS00010243
- A827734
- CS-0016051
- NCGC00091044-01
- J-509878
- MFCD00002109
- benzoyl hydroxamic acid
- SY046755
- B0061
- NCGC00091044-02
- Enamine_005424
- HMS1409G12
- AI3-15939
- Z56912029
- NSC-147248
- N-oxidanylbenzamide
- NSC147248
- AKOS000120941
- Benzohyroxamate
- hydroxyphenyl nitrone
- FT-0622703
- Benzenecarboximidic acid, N-hydroxy-, (Z)- (9CI)
- Hydroxylamine, N-benzoyl-
- NCGC00091044-03
- benzenecarbohydroxamic acid
- Phenylhydroxamic acid
- DTXCID305421
- Benzohydroxamic acid, 98%
- CHEMBL16300
- D70179
- InChI=1/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9
- CCRIS 6046
- SCHEMBL133061
- NSC3136
- NSC-3136
- BHO
- Benzhydroxamic acid, 99%
- benzoylamino-alcohol
- BDBM50015184
- EN300-17294
- UNII-K8YW73872D
- BHAM; Benzenehydroxamic acid; Benzhydroxamic acid; Benzohydroximic acid
- K8YW73872D
- benzohydroxamsaure
- benzenehydroximic acid
- Tox21_400060
- Q27093030
- BENZENEHYDROXAMIC ACID
- N-BENZOHYDROXAMIC ACID
- BENZOHYDROXIMIC ACID
- STL280246
- DB-051637
- HYDROXYLAMINE, N-BENZOYL
- benzoylhydroxylamine
- N-Benzoylhydroxylamine;N-Hydroxy-benzamide;Benzoylhydroxylamine
- FB18219
-
- MDL: MFCD00002109
- Inchi: 1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)
- InChI Key: VDEUYMSGMPQMIK-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC=CC=1)NO
- BRN: 1907585
Computed Properties
- Exact Mass: 137.04800
- Monoisotopic Mass: 137.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 119
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: nothing
- Topological Polar Surface Area: 49.3A^2
Experimental Properties
- Color/Form: White orthorhombic flake or needle like crystals.
- Density: 1.2528 (rough estimate)
- Melting Point: 126-130?°C (lit.)
- Boiling Point: 327.1°C at 760 mmHg
- Flash Point: 201oC
- Refractive Index: 1.5030 (estimate)
- Solubility: Soluble in alcohol. Slightly soluble in ether. Insoluble in benzene.
- Water Partition Coefficient: 22 g/L (6 oC)
- Stability/Shelf Life: Moisture and Temperature Sensitive
- PSA: 49.33000
- LogP: 1.19650
- Solubility: Soluble in ethanol and ethyl acetate, slightly soluble in diethyl ether and benzene. At 6 ℃, 2.25g of product can be dissolved in 100ml of water, and the aqueous solution is acidic.
Benzohydroxamic Acid Security Information
-
Symbol:
- Prompt:warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: R68
- Safety Instruction: S45-S36/37
- RTECS:DF9650000
-
Hazardous Material Identification:
- TSCA:Yes
- Storage Condition:2-8°C
- Risk Phrases:R68
- Safety Term:S36/37;S45
Benzohydroxamic Acid Pricemore >>
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| Chemenu | CM276371-500g |
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495-18-1 | 95+% | 500g |
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| Ambeed | A291959-25g |
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495-18-1 | 98% | 25g |
$40.0 | 2025-02-21 | |
| Ambeed | A291959-100g |
Benzhydroxamic acid |
495-18-1 | 98% | 100g |
$133.0 | 2025-02-21 | |
| Apollo Scientific | OR346449-1g |
N-Hydroxybenzamide |
495-18-1 | 95+% | 1g |
£75.00 | 2023-08-31 | |
| Apollo Scientific | OR346449-5g |
N-Hydroxybenzamide |
495-18-1 | 95+% | 5g |
£218.00 | 2023-08-31 | |
| Apollo Scientific | OR346449-10g |
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£406.00 | 2023-08-31 | |
| TRC | B203750-5g |
Benzohydroxamic Acid |
495-18-1 | 5g |
$ 65.00 | 2023-04-19 | ||
| TRC | B203750-50g |
Benzohydroxamic Acid |
495-18-1 | 50g |
$ 230.00 | 2023-04-19 |
Benzohydroxamic Acid Suppliers
Benzohydroxamic Acid Related Literature
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Vandna Kukshal,Mridul Mishra,Arya Ajay,Taran Khanam,Rahul Sharma,Divya Dube,Deepti Chopra,Rama Pati Tripathi,Ravishankar Ramachandran Med. Chem. Commun. 2012 3 453
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Vandna Kukshal,Mridul Mishra,Arya Ajay,Taran Khanam,Rahul Sharma,Divya Dube,Deepti Chopra,Rama Pati Tripathi,Ravishankar Ramachandran Med. Chem. Commun. 2012 3 453
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Wenwei Li,Ruxue Wang,Zhefeng Li,Jiuxi Chen,Yuhong Zhang,Ningning Lv Chem. Commun. 2023 59 4360
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Yi-Hsun Ho,Kuang-Jui Wang,Pei-Yun Hung,Yi-Sheng Cheng,Jia-Rong Liu,Sheang-Tze Fung,Pi-Hui Liang,Ji-Wang Chern,Chao-Wu Yu Org. Biomol. Chem. 2018 16 7820
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Mengmeng Jia,Heng Zhang,Yongjia Lin,Dimei Chen,Yanmei Chen,Yuanzhi Xia Org. Biomol. Chem. 2018 16 3615
Additional information on Benzohydroxamic Acid
Benzohydroxamic Acid (CAS No. 495-18-1): A Comprehensive Overview
Benzohydroxamic Acid, with the chemical formula C7H7NO2 and CAS number 495-18-1, is a versatile compound that has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its hydroxamic acid functional group attached to a benzene ring, exhibits a range of properties that make it valuable in various applications, from synthetic chemistry to drug development.
The structure of Benzohydroxamic Acid consists of a benzene ring substituted with a hydroxyl group and a hydroxamic acid moiety. This unique arrangement imparts distinct reactivity and binding capabilities, making it a useful intermediate in the synthesis of more complex molecules. The hydroxamic acid group is particularly notable for its ability to participate in coordination chemistry, hydrogen bonding, and metal chelation, which are crucial in many biochemical processes.
In recent years, Benzohydroxamic Acid has been extensively studied for its potential applications in medicinal chemistry. One of the most promising areas is its use as a precursor in the synthesis of bioactive molecules. Researchers have leveraged its structural features to develop novel compounds with therapeutic properties. For instance, derivatives of Benzohydroxamic Acid have been explored as inhibitors of various enzymes involved in metabolic pathways, showcasing its versatility in drug design.
Moreover, the chelating properties of the hydroxamic acid group have opened up avenues for applications in materials science and environmental chemistry. Studies have demonstrated that Benzohydroxamic Acid can form stable complexes with transition metals, which are useful in catalysis and as sensors for metal ions. This capability is particularly relevant in developing technologies for water purification and metal detection.
The pharmaceutical industry has also been keen on exploring the potential of Benzohydroxamic Acid as an active pharmaceutical ingredient (API). Its ability to interact with biological targets makes it a valuable scaffold for drug discovery. Recent research has highlighted its role in developing small-molecule inhibitors targeting protein-protein interactions (PPIs), which are critical in many diseases but challenging to address with traditional drug modalities.
A particularly intriguing aspect of Benzohydroxamic Acid is its potential in oncology research. Preclinical studies have shown that certain derivatives exhibit anti-cancer properties by inhibiting key signaling pathways involved in tumor growth and survival. The ability of these derivatives to selectively target cancer cells while minimizing toxicity makes them promising candidates for further development into novel chemotherapeutic agents.
In addition to its therapeutic applications, Benzohydroxamic Acid has found utility in agrochemical research. Its structural motifs have been incorporated into the design of novel pesticides and herbicides that offer improved efficacy and environmental safety. This aligns with the growing demand for sustainable agricultural practices that minimize ecological impact.
The synthetic methodologies for preparing Benzohydroxamic Acid have also seen significant advancements. Modern synthetic routes often employ green chemistry principles, utilizing catalytic processes and renewable feedstocks to enhance efficiency and reduce waste. These innovations not only improve the scalability of production but also contribute to more sustainable chemical manufacturing practices.
The analytical characterization of Benzohydroxamic Acid is another area where recent developments have made substantial progress. Advanced spectroscopic techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and X-ray crystallography have provided detailed insights into its structure and reactivity. These tools are essential for confirming the identity of synthesized compounds and understanding their interactions at the molecular level.
The role of computational chemistry in studying Benzohydroxamic Acid cannot be overstated. Molecular modeling and simulations have enabled researchers to predict the behavior of this compound in various environments, including biological systems. This computational approach complements experimental studies by providing theoretical frameworks that guide experimental design and interpretation.
In conclusion, Benzohydroxamic Acid (CAS No. 495-18-1) is a multifaceted compound with broad applications across multiple scientific disciplines. Its unique structural features make it invaluable in pharmaceutical research, materials science, environmental chemistry, and agrochemical development. As research continues to uncover new applications and synthetic methodologies, the importance of this compound is likely to grow further, solidifying its place as a cornerstone molecule in modern chemical biology.
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