Cas no 123843-66-3 (2,6-Difluoro-4-methoxybenzonitrile)
2,6-Difluoro-4-methoxybenzonitrile is a fluorinated aromatic nitrile compound with a methoxy substituent, offering unique reactivity and structural properties for synthetic applications. Its electron-withdrawing fluorine and nitrile groups enhance its utility as an intermediate in pharmaceutical and agrochemical synthesis, enabling selective functionalization. The methoxy group provides additional steric and electronic modulation, making it valuable for constructing complex heterocycles or fine-tuning molecular properties. This compound exhibits high purity and stability, ensuring consistent performance in cross-coupling reactions, nucleophilic substitutions, or other transformations. Its well-defined structure allows precise control in designing advanced materials or bioactive molecules, making it a versatile building block in organic chemistry.
123843-66-3 structure
Product Name:2,6-Difluoro-4-methoxybenzonitrile
CAS No:123843-66-3
MF:C8H5F2NO
MW:169.128208875656
MDL:MFCD03094498
CID:91577
PubChem ID:2778772
Update Time:2025-06-09
2,6-Difluoro-4-methoxybenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Difluoro-4-methoxybenzonitrile
- 3,5-Difluoro -4-cyanoanisole
- 2,6-Difluoro-4-methoxy-benzonitrile
- PS-6866
- DTXSID40381123
- FT-0653681
- SCHEMBL186585
- AKOS005254847
- BCP34259
- 4-Cyano-3,5-difluoroanisole;Benzonitrile, 2,6-difluoro-4-methoxy-
- SY030323
- DIETHYL2-(4-CHLOROPHENYL)-1,1-CYCLOPROPANEDICARBOXYLATE
- CS-W017727
- 123843-66-3
- MFCD03094498
- AB13332
- 4-Cyano-3,5-difluoroanisole
- Benzonitrile, 2,6-difluoro-4-methoxy-
- CMGFDVIQHBAJHT-UHFFFAOYSA-N
- Benzonitrile,2,6-difluoro-4-methoxy-
- AC-4063
- A20950
- AM61748
- DB-012820
-
- MDL： MFCD03094498
- Inchi： 1S/C8H5F2NO/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-3H,1H3
- InChI Key： CMGFDVIQHBAJHT-UHFFFAOYSA-N
- SMILES： FC1C(C#N)=C(C=C(C=1)OC)F
Computed Properties
- Exact Mass: 169.03400
- Monoisotopic Mass: 169.034
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 189
- 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: nothing
- XLogP3: 1.8
- Topological Polar Surface Area: 33A^2
Experimental Properties
- Color/Form: White crystalline powder
- Density: 1.27
- Melting Point: 53-57℃
- Boiling Point: 212 oC
- Flash Point: 82 oC
- Refractive Index: 1.485
- PSA: 33.02000
- LogP: 1.84508
- Solubility: Insoluble in water
2,6-Difluoro-4-methoxybenzonitrile Security Information
-
Symbol:
- Signal Word：Danger
- Hazard Statement： H311,H302,H332,H315,H319
-
Warning Statement：
P280H,P305
P351
P338,P309,P310 - Hazardous Material transportation number：UN3439
- Hazard Category Code： 36/37/38
- Safety Instruction： S26-S37/39
-
Hazardous Material Identification：
- HazardClass：6.1
- PackingGroup：III
- Safety Term：6.1
- Packing Group：III
- Risk Phrases：R36/37/38
- Packing Group：III
- Hazard Level：6.1
- Storage Condition：Store at 4°C,-4At ℃Store…Better
2,6-Difluoro-4-methoxybenzonitrile 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%
2,6-Difluoro-4-methoxybenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D808336-5g |
2,6-Difluoro-4-methoxybenzonitrile |
123843-66-3 | 97% | 5g |
￥492.30 | 2022-01-10 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 05R0017-1g |
2,6-Difluoro-4-methoxy-benzonitrile |
123843-66-3 | 97% | 1g |
1526.48CNY | 2021-05-08 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 05R0017-5g |
2,6-Difluoro-4-methoxy-benzonitrile |
123843-66-3 | 97% | 5g |
6105.91CNY | 2021-05-08 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 05R0017-500mg |
2,6-Difluoro-4-methoxy-benzonitrile |
123843-66-3 | 97% | 500mg |
1187.26CNY | 2021-05-08 | |
| TRC | D268850-250mg |
2,6-Difluoro-4-Methoxybenzonitrile |
123843-66-3 | 250mg |
$ 235.00 | 2022-06-05 | ||
| TRC | D268850-500mg |
2,6-Difluoro-4-Methoxybenzonitrile |
123843-66-3 | 500mg |
$ 390.00 | 2022-06-05 | ||
| TRC | D268850-1000mg |
2,6-Difluoro-4-Methoxybenzonitrile |
123843-66-3 | 1g |
$ 620.00 | 2022-06-05 | ||
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R011227-1g |
2,6-Difluoro-4-methoxybenzonitrile |
123843-66-3 | 97% | 1g |
￥221 | 2024-05-26 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R011227-5g |
2,6-Difluoro-4-methoxybenzonitrile |
123843-66-3 | 97% | 5g |
￥1095 | 2024-05-26 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D122742-1g |
2,6-Difluoro-4-methoxybenzonitrile |
123843-66-3 | 97% | 1g |
￥318.90 | 2023-09-03 |
2,6-Difluoro-4-methoxybenzonitrile Related Literature
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
123843-66-3 (2,6-Difluoro-4-methoxybenzonitrile) Related Products
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- 94610-82-9(2-Fluoro-4-methoxybenzonitrile)
- 220353-20-8(2,4-Difluoro-3-methoxybenzonitrile)
- 886498-35-7(2,6-DIFLUORO-3-METHOXYBENZONITRILE)
- 94088-46-7(2-Fluoro-6-Methoxybenzonitrile)
- 123843-57-2(2,6-Difluoro-4-hydroxybenzonitrile)
- 82380-18-5(2-Fluoro-4-hydroxybenzonitrile)
- 119396-88-2(2-Fluoro-4,5-dimethoxybenzonitrile)
- 753922-24-6(Benzonitrile, 2-fluoro-4-(4-fluorophenoxy)-)
- 1007605-44-8(2,5-Difluoro-4-methoxybenzonitrile)
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