- Preparation of 3,5-diaryl-1,2,4-oxadiazoles and analogs as activators of caspases and inducers of apoptosis., World Intellectual Property Organization, , ,
Cas no 95727-86-9 (5-(trifluoromethyl)pyridine-2-carbonitrile)
95727-86-9 structure
Product Name:5-(trifluoromethyl)pyridine-2-carbonitrile
CAS No:95727-86-9
MF:C7H3F3N2
MW:172.107331514359
MDL:MFCD08690162
CID:61801
PubChem ID:1535372
Update Time:2024-10-25
5-(trifluoromethyl)pyridine-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-(Trifluoromethyl)picolinonitrile
- 5-(trifluoromethyl)pyridine-2-carbonitrile
- 2-(5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)ACETONITRILE
- 2-Cyano-5-(trifluoromethyl)pyridine
- 2-Pyridinecarbonitrile, 5-(trifluoromethyl)-
- 5-Trifluoromethyl-pyridine-2-carbonitrile
- 5-(Trifluoromethyl)-2-pyridinecarbonitrile (ACI)
- 2-Cyano-5-trifluoromethylpyridine
- 5-Trifluoromethylpyridine-2-carbonitrile
- 5-(trifluoromethyl)pyridine-2-carbonitrile,98%
- AKOS006223896
- AF-399/32351064
- Z57012257
- MFCD01001119
- AB07941
- 5-(trifluoromethyl)-2-pyridinecarbonitrile
- DTXSID80364197
- SY015711
- CS-W019550
- DB-185456
- J-516454
- 95727-86-9
- AC-28220
- EN300-105961
- SCHEMBL2553743
- AS-5476
-
- MDL: MFCD08690162
- Inchi: 1S/C7H3F3N2/c8-7(9,10)5-1-2-6(3-11)12-4-5/h1-2,4H
- InChI Key: WDSCJULUXJSJOX-UHFFFAOYSA-N
- SMILES: N#CC1C=CC(C(F)(F)F)=CN=1
Computed Properties
- Exact Mass: 172.02500
- Monoisotopic Mass: 172.025
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 202
- 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
- Topological Polar Surface Area: 36.7A^2
- XLogP3: 1.8
Experimental Properties
- Density: 1.37
- Melting Point: 42-43°C
- Boiling Point: 232.3℃ at 760 mmHg
- Flash Point: 94.3℃
- Refractive Index: 1.456
- Water Partition Coefficient: Slightly soluble in water.
- PSA: 36.68000
- LogP: 1.97208
5-(trifluoromethyl)pyridine-2-carbonitrile Security Information
- Signal Word:Warning
- Hazard Statement: H315; H319; H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
-
Hazardous Material Identification:
- HazardClass:6.1
- PackingGroup:III
- Storage Condition:Store at room temperature
5-(trifluoromethyl)pyridine-2-carbonitrile Customs Data
- HS CODE:2933399090
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
5-(trifluoromethyl)pyridine-2-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PB05767-10 G |
5-(trifluoromethyl)pyridine-2-carbonitrile |
95727-86-9 | 97% | 10g |
¥ 316.00 | 2021-05-07 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PB05767-25 G |
5-(trifluoromethyl)pyridine-2-carbonitrile |
95727-86-9 | 97% | 25g |
¥ 508.00 | 2021-05-07 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PB05767-50 G |
5-(trifluoromethyl)pyridine-2-carbonitrile |
95727-86-9 | 97% | 50g |
¥ 891.00 | 2021-05-07 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PB05767-100 G |
5-(trifluoromethyl)pyridine-2-carbonitrile |
95727-86-9 | 97% | 100g |
¥ 1,531.00 | 2021-05-07 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PB05767-250 G |
5-(trifluoromethyl)pyridine-2-carbonitrile |
95727-86-9 | 97% | 250g |
¥ 2,877.00 | 2021-05-07 | |
| Fluorochem | 037265-1g |
2-Cyano-5-(trifluoromethyl)pyridine |
95727-86-9 | 98% | 1g |
£11.00 | 2022-03-01 | |
| Fluorochem | 037265-5g |
2-Cyano-5-(trifluoromethyl)pyridine |
95727-86-9 | 98% | 5g |
£23.00 | 2022-03-01 | |
| Fluorochem | 037265-10g |
2-Cyano-5-(trifluoromethyl)pyridine |
95727-86-9 | 98% | 10g |
£37.00 | 2022-03-01 | |
| Fluorochem | 037265-25g |
2-Cyano-5-(trifluoromethyl)pyridine |
95727-86-9 | 98% | 25g |
£72.00 | 2022-03-01 | |
| Chemenu | CM100041-100g |
5-(trifluoromethyl)pyridine-2-carbonitrile |
95727-86-9 | 95% | 100g |
$329 | 2021-08-06 |
5-(trifluoromethyl)pyridine-2-carbonitrile Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Pyridine ; 2 h, reflux
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Hydroxyamine hydrochloride , 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-, hydrochloride (1:1) Solvents: Acetonitrile ; 3 - 4 h, 60 °C
Reference
- HCl·DMPU-assisted one-pot and metal-free conversion of aldehydes to nitrilesMudshinge, Sagar R.; Potnis, Chinmay S.; Xu, Bo; Hammond, Gerald B., Green Chemistry, 2020, 22(13), 4161-4164
Production Method 3
Reaction Conditions
1.1 Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Dimethylformamide ; overnight, 80 °C
Reference
- Preparation of (tetrahydropyranylamino)cyclopentanecarbonyl-substituted fused azaheterocycles as modulators of cytokine receptors such as CCR2, World Intellectual Property Organization, , ,
Production Method 4
Reaction Conditions
Reference
- Preparation of benzanilide compounds as pesticides, Japan, , ,
Production Method 5
Reaction Conditions
Reference
- Preparation of benzanilide derivatives as pesticides, World Intellectual Property Organization, , ,
Production Method 6
Reaction Conditions
1.1 Reagents: Trifluoromethanesulfonic anhydride Solvents: Chloroform ; rt; 1 h, rt
1.2 3 h, 60 °C; < 60 °C
1.3 Reagents: 4-Methylmorpholine ; 17 h, 60 °C; 60 °C → rt
1.4 Reagents: Sodium bicarbonate Solvents: Water ; rt
1.2 3 h, 60 °C; < 60 °C
1.3 Reagents: 4-Methylmorpholine ; 17 h, 60 °C; 60 °C → rt
1.4 Reagents: Sodium bicarbonate Solvents: Water ; rt
Reference
- C-H Cyanation of 6-Ring N-Containing HeteroaromaticsElbert, Bryony L.; Farley, Alistair J. M.; Gorman, Timothy W.; Johnson, Tarn C.; Genicot, Christophe; et al, Chemistry - A European Journal, 2017, 23(59), 14733-14737
Production Method 7
Reaction Conditions
1.1 Reagents: Triethylamine , Trifluoromethanesulfonic anhydride Solvents: Dichloromethane ; rt; 2 h, rt
1.2 Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Dimethylformamide ; overnight, 80 °C
1.2 Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Dimethylformamide ; overnight, 80 °C
Reference
- Heteroaromatic ureas as vanilloid receptor (VR1) modulators, in particular antagonists, for treating pain and/or inflammation, World Intellectual Property Organization, , ,
Production Method 8
Reaction Conditions
1.1 Reagents: Polyethylene glycol lauryl ether , Poly(methylhydrosiloxane) Catalysts: [2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][[5-(diphenylphosphino)-9,9-dimethyl-9H-xa… Solvents: Tetrahydrofuran , Water ; 12 h, 65 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water
1.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
- Late-stage Pd-catalyzed Cyanations of Aryl/Heteroaryl Halides in Aqueous Micellar MediaThakore, Ruchita R.; Takale, Balaram S. ; Singhania, Vani; Gallou, Fabrice; Lipshutz, Bruce H., ChemCatChem, 2021, 13(1), 212-216
Production Method 9
Reaction Conditions
1.1 Solvents: Dimethyl sulfoxide ; 2 h, 180 °C; cooled
Reference
- Preparation of used azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor, United States, , ,
Production Method 10
Reaction Conditions
1.1 Solvents: Dimethyl sulfoxide ; 2 h, 180 °C; cooled
Reference
- Preparation of fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1), United States, , ,
Production Method 11
Reaction Conditions
Reference
- Preparation of heterocyclic compounds for treating hepatitis C virus, World Intellectual Property Organization, , ,
Production Method 12
Reaction Conditions
Reference
- Preparation of phenyl carbamates and their use as agrochemical fungicides and insecticides, Japan, , ,
Production Method 13
Reaction Conditions
Reference
- Preparation of heterocyclyliminophenyl compounds as agricultural and horticultural fungicides and insecticides, World Intellectual Property Organization, , ,
5-(trifluoromethyl)pyridine-2-carbonitrile Raw materials
- 2-Iodo-5-(trifluoromethyl)pyridine
- 5-(trifluoromethyl)pyridine-2-carbaldehyde
- 3-(Trifluoromethyl)pyridine
- 2-Bromo-5-(trifluoromethyl)pyridine
- 2-Hydroxy-5-(trifluoromethyl)pyridine
- 2-chloro-5-(trifluoromethyl)pyridine
- trimethylsilanecarbonitrile
5-(trifluoromethyl)pyridine-2-carbonitrile Preparation Products
5-(trifluoromethyl)pyridine-2-carbonitrile Related Literature
-
Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
95727-86-9 (5-(trifluoromethyl)pyridine-2-carbonitrile) Related Products
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- 1805001-09-5(2-Cyano-3-(difluoromethyl)-4-(trifluoromethyl)pyridine)
- 1805303-52-9(2-Cyano-4-(difluoromethyl)-3-(trifluoromethyl)pyridine)
- 1805204-21-0(2-Cyano-5-(difluoromethyl)-4-(trifluoromethyl)pyridine)
- 936841-69-9(4-(trifluoromethyl)pyridine-2-carbonitrile)
- 406933-21-9(2-Cyano-3-Trifluoromethylpyridine)
- 143812-63-9(4-(trifluoromethyl)-1H-Pyrrole-2-carbonitrile)
- 1806784-39-3(2-Cyano-5-(difluoromethyl)-3-(trifluoromethyl)pyridine)
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