- Synthesis of Difluoromethyl Ethers with DifluoromethyltriflateFier, Patrick S.; Hartwig, John F., Angewandte Chemie, 2013, 52(7), 2092-2095
Cas no 90446-25-6 (4-(Difluoromethoxy)benzonitrile)
90446-25-6 structure
Product Name:4-(Difluoromethoxy)benzonitrile
CAS No:90446-25-6
MF:C8H5F2NO
MW:169.128208875656
MDL:MFCD00085006
CID:803325
PubChem ID:2736990
Update Time:2024-10-26
4-(Difluoromethoxy)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-(Difluoromethoxy)benzonitrile
- Benzonitrile,4-(difluoromethoxy)-
- 4-(difluoromethoxy)benzenecarbonitrile
- 4-difluoromethoxybenzonitrile
- 1-Cyano-4-(difluoromethoxy)benzene
- PubChem18485
- OGMOYCCCAFJQKI-UHFFFAOYSA-N
- HMS1788L03
- STK313077
- SBB021781
- BBL039156
- CK1058
- VZ27887
- TF10223
- AS02735
- SY0322
- 4-(Difluoromethoxy)benzonitrile (ACI)
- 90446-25-6
- SY032268
- D4955
- EN300-07860
- 4-[bis(fluoranyl)methoxy]benzenecarbonitrile
- AKOS000309345
- AS-18825
- DTXSID50920380
- Z55928802
- CS-0094686
- MFCD00085006
- SCHEMBL932887
- A843553
- 4-Cyanophenyl difluoromethyl ether
-
- MDL: MFCD00085006
- Inchi: 1S/C8H5F2NO/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8H
- InChI Key: OGMOYCCCAFJQKI-UHFFFAOYSA-N
- SMILES: N#CC1C=CC(OC(F)F)=CC=1
Computed Properties
- Exact Mass: 169.03400
- Monoisotopic Mass: 169.03392011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 179
- 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: 33
- XLogP3: 2.6
Experimental Properties
- Density: 1.26
- Melting Point: 40.0 to 44.0 deg-C
- Boiling Point: 245 oC
- Flash Point: 102 oC
- PSA: 33.02000
- LogP: 2.15968
4-(Difluoromethoxy)benzonitrile Security Information
-
Symbol:
- Prompt:dangerous
- Signal Word:Warning
- Hazard Statement: H301+H311+H331-H315-H319
- Warning Statement: P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
- Hazardous Material transportation number:UN 3439 6.1/PG III
-
Hazardous Material Identification:
- HazardClass:6.1
- PackingGroup:III
- Storage Condition:Store at room temperature
4-(Difluoromethoxy)benzonitrile Customs Data
- HS CODE:2926909090
- Customs Data:
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
4-(Difluoromethoxy)benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D4955-1g |
4-(Difluoromethoxy)benzonitrile |
90446-25-6 | 98.0%(GC) | 1g |
¥260.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D4955-5g |
4-(Difluoromethoxy)benzonitrile |
90446-25-6 | 98.0%(GC) | 5g |
¥990.0 | 2022-06-10 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D858101-1g |
4-(Difluoromethoxy)Benzonitrile |
90446-25-6 | ≥98% | 1g |
¥126.90 | 2022-01-10 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X23835-1g |
4-(Difluoromethoxy)benzonitrile |
90446-25-6 | 98% | 1g |
¥46.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X23835-25g |
4-(Difluoromethoxy)benzonitrile |
90446-25-6 | 25g |
¥1346.0 | 2021-09-03 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X23835-5g |
4-(Difluoromethoxy)benzonitrile |
90446-25-6 | 5g |
¥306.0 | 2021-09-03 | ||
| TRC | D452245-10mg |
4-(Difluoromethoxy)benzonitrile |
90446-25-6 | 10mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D452245-50mg |
4-(Difluoromethoxy)benzonitrile |
90446-25-6 | 50mg |
$ 65.00 | 2022-06-05 | ||
| TRC | D452245-100mg |
4-(Difluoromethoxy)benzonitrile |
90446-25-6 | 100mg |
$ 80.00 | 2022-06-05 | ||
| ChemScence | CS-0094686-5g |
4-(Difluoromethoxy)benzonitrile |
90446-25-6 | 99.82% | 5g |
$49.0 | 2022-04-26 |
4-(Difluoromethoxy)benzonitrile Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Acetonitrile , Water ; 2 min, rt
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Dimethylformamide ; 4 h, 75 °C
Reference
- Decarboxylative Trifluoromethylating Reagent [Cu(O2CCF3)(phen)] and Difluorocarbene Precursor [Cu(phen)2][O2CCF2Cl]Lin, Xiaoxi; Hou, Chuanqi; Li, Haohong; Weng, Zhiqiang, Chemistry - A European Journal, 2016, 22(6), 2075-2084
Production Method 3
Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Water ; 30 min, rt
1.2 Solvents: Acetonitrile ; 2 h, rt; 1 h, rt
1.3 Reagents: Water
1.2 Solvents: Acetonitrile ; 2 h, rt; 1 h, rt
1.3 Reagents: Water
Reference
- Use of Fluoroform as a Source of Difluorocarbene in the Synthesis of Difluoromethoxy- and DifluorothiomethoxyarenesThomoson, Charles S.; Dolbier, William R., Journal of Organic Chemistry, 2013, 78(17), 8904-8908
Production Method 4
Reaction Conditions
Reference
- ChlorodifluoromethaneBurton, Donald J.; Qiu, Weiming; Joneczyk, Andrzej; Kowalkowska, Anna, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2010, 1, 1-6
Production Method 5
Reaction Conditions
1.1 Reagents: Benzyltriethylammonium chloride , Sodium hydroxide , Benzyltriethylammonium hydroxide Solvents: Hexane , Water
Reference
- Method of preparing alcohol or phenol difluoromethyl ethers, USSR, , ,
Production Method 6
Reaction Conditions
1.1 Reagents: Cesium carbonate Catalysts: fac-Tris(2-(2-pyridinyl)phenyl)iridium Solvents: Dimethylformamide ; 9 h, 25 °C
Reference
- Visible-Light Photoredox Difluoromethylation of Phenols and Thiophenols with Commercially Available Difluorobromoacetic AcidYang, Jinyan; Jiang, Min; Jin, Yunhe; Yang, Haijun; Fu, Hua, Organic Letters, 2017, 19(10), 2758-2761
Production Method 7
Reaction Conditions
1.1 Solvents: p-Xylene ; 2 h, 90 °C
Reference
- Difluoromethylation and gem-difluorocyclopropenation with difluorocarbene generated by decarboxylationDeng, Xiao-Yun; Lin, Jin-Hong; Zheng, Jian; Xiao, Ji-Chang, Chemical Communications (Cambridge, 2015, 51(42), 8805-8808
Production Method 8
Reaction Conditions
1.1 Reagents: Phosphorus pentachloride Solvents: Dichloromethane ; 12 h, 35 °C
1.2 Reagents: Hydrofluoric acid Solvents: Tetrahydrofuran ; 12 h, rt
1.3 Solvents: Water ; rt
1.2 Reagents: Hydrofluoric acid Solvents: Tetrahydrofuran ; 12 h, rt
1.3 Solvents: Water ; rt
Reference
- Three step procedure for the preparation of aromatic and aliphatic difluoromethyl ethers from phenols and alcohols using a chlorine/fluorine exchange methodologyDolbier, William R. Jr.; Wang, Fei; Tang, Xiaojun; Thomoson, Charles S.; Wang, Linhua, Journal of Fluorine Chemistry, 2014, 160, 72-76
4-(Difluoromethoxy)benzonitrile Raw materials
- Bromodifluoroacetic acid
- 4-Hydroxybenzonitrile
- Copper(1+),bis(1,10-phenanthroline-kN1,kN10)-, (T-4)-
- Acetic acid, 2-chloro-2,2-difluoro-, ion(1-)
- 5-Methylpyrimidin-2-amine
- Benzonitrile, 4-(formyloxy)-
- 2,2-difluoro-2-triphenylphosphaniumylacetate
4-(Difluoromethoxy)benzonitrile Preparation Products
4-(Difluoromethoxy)benzonitrile Suppliers
Amadis Chemical Company Limited
Gold Member
(CAS:90446-25-6)4-(Difluoromethoxy)benzonitrile
Order Number:A1735
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:00
Price ($):150.0
Email:[email protected]
4-(Difluoromethoxy)benzonitrile Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Recommended suppliers
Amadis Chemical Company Limited
(CAS:90446-25-6)4-(Difluoromethoxy)benzonitrile
Purity:99%
Quantity:25g
Price ($):150.0