Cas no 100517-53-1 (3-Hydroxyquinoline-4-carbonitrile)
3-Hydroxyquinoline-4-carbonitrile is a heterocyclic organic compound featuring a quinoline backbone substituted with a hydroxyl group at the 3-position and a cyano group at the 4-position. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its electron-withdrawing cyano group and hydroxyl functionality enhance its utility in nucleophilic substitution and condensation reactions. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its versatility in forming fused heterocycles or serving as a precursor for functionalized quinolines underscores its importance in medicinal chemistry and material science applications.
100517-53-1 structure
Product Name:3-Hydroxyquinoline-4-carbonitrile
CAS No:100517-53-1
MF:C10H6N2O
MW:170.16744184494
MDL:MFCD18415946
CID:1126011
PubChem ID:97290201
Update Time:2025-06-07
3-Hydroxyquinoline-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-hydroxy-4-quinolinecarbonitrile
- Carbamic acid, (3-hydroxyphenyl)-, (4-nitrophenyl)methyl ester
- (3-hydroxyphenyl)carbamic acid 4-nitrobenzyl ester
- CTK3D0779
- 3-hydroxycarbanilic acid p-nitrobenzyl ester
- 3-hydroxy-quinoline-4-carbonitrile
- 3-Hydroxy-chinolin-4-carbonitril
- Carbamic acid, (3-hydroxyphenyl)-, (4-nitrophenyl)methyl ester; (3-hydroxyphenyl)carbamic acid 4-nitrobenzyl ester; CTK3D0779; 3-hydroxycarbanilic acid p-nitrobenzyl ester; 3-hydroxy-quinoline-4-carbonitrile; 3-Hydroxy-chinolin-4-carbonitril;
- 3-hydroxyquinoline-4-carbonitrile
- DS-014251
- 100517-53-1
- AKOS027253231
- CS-0439738
- MFCD18415946
- PS-11559
- SB68134
- 3-Hydroxyquinoline-4-carbonitrile
-
- MDL： MFCD18415946
- Inchi： 1S/C10H6N2O/c11-5-8-7-3-1-2-4-9(7)12-6-10(8)13/h1-4,6,13H
- InChI Key： HCVZROBIXCHBQQ-UHFFFAOYSA-N
- SMILES： OC1=CN=C2C=CC=CC2=C1C#N
Computed Properties
- Exact Mass: 170.048012819g/mol
- Monoisotopic Mass: 170.048012819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 232
- 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: 2.1
- Topological Polar Surface Area: 56.9?2
Experimental Properties
- Density: 1.4±0.1 g/cm3
- Boiling Point: 302.2±27.0 °C at 760 mmHg
- Flash Point: 136.5±23.7 °C
- Vapor Pressure: 0.0±0.7 mmHg at 25°C
3-Hydroxyquinoline-4-carbonitrile 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-Hydroxyquinoline-4-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | H954113-5mg |
3-Hydroxyquinoline-4-carbonitrile |
100517-53-1 | 5mg |
$ 50.00 | 2022-06-04 | ||
| TRC | H954113-10mg |
3-Hydroxyquinoline-4-carbonitrile |
100517-53-1 | 10mg |
$ 70.00 | 2022-06-04 | ||
| TRC | H954113-50mg |
3-Hydroxyquinoline-4-carbonitrile |
100517-53-1 | 50mg |
$ 230.00 | 2022-06-04 | ||
| Alichem | A189000402-1g |
4-Cyano-3-hydroxyquinoline |
100517-53-1 | 98% | 1g |
$1138.76 | 2023-09-04 | |
| Alichem | A189000402-5g |
4-Cyano-3-hydroxyquinoline |
100517-53-1 | 98% | 5g |
$3193.27 | 2023-09-04 | |
| Alichem | A189000402-10g |
4-Cyano-3-hydroxyquinoline |
100517-53-1 | 98% | 10g |
$3650.60 | 2023-09-04 | |
| Apollo Scientific | OR42261-100mg |
3-Hydroxyquinoline-4-carbonitrile |
100517-53-1 | 100mg |
￡76.00 | 2025-02-20 | ||
| Apollo Scientific | OR42261-250mg |
3-Hydroxyquinoline-4-carbonitrile |
100517-53-1 | 250mg |
￡153.00 | 2025-02-20 | ||
| Chemenu | CM110751-1g |
3-hydroxyquinoline-4-carbonitrile |
100517-53-1 | 95% | 1g |
$552 | 2023-03-06 | |
| abcr | AB445684-500 mg |
3-Hydroxyquinoline-4-carbonitrile; min. 95% |
100517-53-1 | 500MG |
€860.00 | 2023-07-18 |
3-Hydroxyquinoline-4-carbonitrile Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
100517-53-1 (3-Hydroxyquinoline-4-carbonitrile) Related Products
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