Cas no 886501-33-3 (2-Chloro-3,6-difluorobenzonitrile)

2-Chloro-3,6-difluorobenzonitrile is a fluorinated aromatic nitrile compound with the molecular formula C7H2ClF2N. This intermediate is notable for its electron-withdrawing substituents, which enhance its reactivity in nucleophilic aromatic substitution and cross-coupling reactions. The presence of chlorine and fluorine atoms at adjacent positions on the benzene ring contributes to its utility in agrochemical and pharmaceutical synthesis, particularly in the development of herbicides and active pharmaceutical ingredients (APIs). Its high purity and stability under standard conditions make it a reliable building block for fine chemical applications. The compound’s structural features also facilitate further functionalization, enabling tailored modifications for specialized synthetic pathways.

2-Chloro-3,6-difluorobenzonitrile structure

886501-33-3 structure

Product Name:2-Chloro-3,6-difluorobenzonitrile

CAS No:886501-33-3

MF:C₇H₂ClF₂N

MW:173.547287464142

MDL:MFCD06660175

CID:2151277

PubChem ID:17750746

Update Time:2025-06-07

2-Chloro-3,6-difluorobenzonitrile Chemical and Physical Properties

Names and Identifiers

- 2-chloro-3,6-difluoro-benzonitrile
- 2-(2-chloro-3,6-difluorophenyl)acetonitrile
- 2-Chloro-3,6-difluorobenzonitrile
- 2-Chloro-3,6-difluorobenzonitrile (ACI)
- 2-Chloro-3,6-difluorobenZonitrile, 95%
- CS-0060114
- SCHEMBL4592838
- MFCD06660175
- AREWFYUZFHLWNH-UHFFFAOYSA-N
- AKOS015956885
- DB-330035
- 886501-33-3
- AS-35864
- MDL： MFCD06660175
- Inchi： 1S/C7H2ClF2N/c8-7-4(3-11)5(9)1-2-6(7)10/h1-2H
- InChI Key： AREWFYUZFHLWNH-UHFFFAOYSA-N
- SMILES： N#CC1C(Cl)=C(F)C=CC=1F

Computed Properties

Exact Mass: 172.9843831g/mol
Monoisotopic Mass: 172.9843831g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 11
Rotatable Bond Count: 0
Complexity: 188
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: 2.5
Topological Polar Surface Area: 23.8?2

2-Chloro-3,6-difluorobenzonitrile Pricemore >>

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Alichem	A013028009-5g	2-Chloro-3,6-difluorobenzonitrile	886501-33-3	95%	5g	$286.00	2023-08-31
Alichem	A013028009-25g	2-Chloro-3,6-difluorobenzonitrile	886501-33-3	95%	25g	$1133.00	2023-08-31
ChemScence	CS-0060114-5g	2-Chloro-3,6-difluorobenzonitrile	886501-33-3	99.75%	5g	$83.0	2022-04-26
ChemScence	CS-0060114-10g	2-Chloro-3,6-difluorobenzonitrile	886501-33-3	99.75%	10g	$152.0	2022-04-26
ChemScence	CS-0060114-25g	2-Chloro-3,6-difluorobenzonitrile	886501-33-3	99.75%	25g	$320.0	2022-04-26
Apollo Scientific	PC302072-1g	2-Chloro-3,6-difluorobenzonitrile	886501-33-3	98%	1g	￡15.00	2025-02-21
Apollo Scientific	PC302072-5g	2-Chloro-3,6-difluorobenzonitrile	886501-33-3	98%	5g	￡37.00	2025-02-21
Apollo Scientific	PC302072-25g	2-Chloro-3,6-difluorobenzonitrile	886501-33-3	98%	25g	￡181.00	2025-02-21
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	C942713-1g	2-Chloro-3,6-difluorobenzonitrile	886501-33-3	≥95%	1g	￥127.80	2022-09-29
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	C942713-5g	2-Chloro-3,6-difluorobenzonitrile	886501-33-3	≥95%	5g	￥466.20	2022-09-29