Cas no 1369852-22-1 (1-Iodo-4-methyl-2-(trifluoromethyl)benzene)

1-Iodo-4-methyl-2-(trifluoromethyl)benzene is a halogenated aromatic compound featuring a trifluoromethyl group and an iodine substituent on a methyl-substituted benzene ring. This structure makes it a valuable intermediate in organic synthesis, particularly for cross-coupling reactions such as Suzuki-Miyaura or Sonogashira couplings, where the iodine acts as an excellent leaving group. The electron-withdrawing trifluoromethyl group enhances reactivity in electrophilic substitutions, while the methyl group offers steric and electronic modulation. Its stability and well-defined reactivity profile make it suitable for pharmaceutical and agrochemical applications, where precise functionalization is critical. The compound is typically handled under inert conditions due to the sensitivity of the iodo moiety.

1-Iodo-4-methyl-2-(trifluoromethyl)benzene structure

1369852-22-1 structure

Product Name:1-Iodo-4-methyl-2-(trifluoromethyl)benzene

CAS No:1369852-22-1

MF:C₈H₆F₃I

MW:286.032925128937

CID:2855061

PubChem ID:66563721

Update Time:2025-10-15

1-Iodo-4-methyl-2-(trifluoromethyl)benzene Chemical and Physical Properties

Names and Identifiers

- QPWLXACQLGMQFU-UHFFFAOYSA-N
- 1369852-22-1
- 2-Iodo-5-methylbenzotrifluoride
- DTXCID60685958
- DB-180921
- DTXSID50735214
- SCHEMBL16628089
- 1-Iodo-4-methyl-2-(trifluoromethyl)benzene
- MDL： MFCD22273738
- Inchi： 1S/C8H6F3I/c1-5-2-3-7(12)6(4-5)8(9,10)11/h2-4H,1H3
- InChI Key： DIDQHLMNWYQNTK-UHFFFAOYSA-N
- SMILES： IC1=CC=C(C)C=C1C(F)(F)F

Computed Properties

Exact Mass: 285.94663Da
Monoisotopic Mass: 285.94663Da
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Heavy Atom Count: 12
Rotatable Bond Count: 1
Complexity: 155
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: 3.8
Topological Polar Surface Area: 0?2

1-Iodo-4-methyl-2-(trifluoromethyl)benzene Pricemore >>

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Fluorochem	080114-1g	2-Iodo-5-methylbenzotrifluoride	1369852-22-1		1g	￡155.00	2022-03-01
Fluorochem	080114-5g	2-Iodo-5-methylbenzotrifluoride	1369852-22-1		5g	￡493.00	2022-03-01
eNovation Chemicals LLC	Y1256323-250mg	1-iodo-4-methyl-2-(trifluoromethyl)benzene	1369852-22-1	97%	250mg	$220	2024-06-06
eNovation Chemicals LLC	Y1256323-1g	1-iodo-4-methyl-2-(trifluoromethyl)benzene	1369852-22-1	97%	1g	$350	2024-06-06
eNovation Chemicals LLC	Y1256323-5g	1-iodo-4-methyl-2-(trifluoromethyl)benzene	1369852-22-1	97%	5g	$915	2024-06-06
eNovation Chemicals LLC	Y1256323-25g	1-iodo-4-methyl-2-(trifluoromethyl)benzene	1369852-22-1	97%	25g	$3285	2024-06-06
eNovation Chemicals LLC	Y1256323-250mg	1-iodo-4-methyl-2-(trifluoromethyl)benzene	1369852-22-1	97%	250mg	$230	2025-02-25
eNovation Chemicals LLC	Y1256323-1g	1-iodo-4-methyl-2-(trifluoromethyl)benzene	1369852-22-1	97%	1g	$365	2025-02-25
eNovation Chemicals LLC	Y1256323-5g	1-iodo-4-methyl-2-(trifluoromethyl)benzene	1369852-22-1	97%	5g	$970	2025-02-25
eNovation Chemicals LLC	Y1256323-25g	1-iodo-4-methyl-2-(trifluoromethyl)benzene	1369852-22-1	97%	25g	$3475	2025-02-25