Cas no 80245-29-0 (5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene)

5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene is a halogenated aromatic compound featuring bromine and trifluoromethyl substituents on a dimethylbenzene backbone. Its unique structure makes it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The bromine atom offers reactivity for cross-coupling reactions, while the electron-withdrawing trifluoromethyl group enhances stability and influences electronic properties. The dimethyl substitution pattern provides steric control for selective functionalization. This compound is suitable for use in palladium-catalyzed reactions, nucleophilic substitutions, and as a building block for complex molecules. Its well-defined reactivity and stability under various conditions make it a reliable choice for research and industrial processes requiring precise aromatic modifications.

5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene structure

80245-29-0 structure

Product Name:5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene

CAS No:80245-29-0

MF:C₉H₈BrF₃

MW:253.059032440186

MDL:MFCD29044867

CID:3030278

PubChem ID:12712341

Update Time:2025-05-28

5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene Chemical and Physical Properties

Names and Identifiers

- 5-bromo-1,2-dimethyl-3-(trifluoromethyl)benzene
- SY045815
- 5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene (ACI)
- s10256
- DTXSID501244599
- MFCD29044867
- AINASRYWSBKQSE-UHFFFAOYSA-N
- 80245-29-0
- DB-107354
- CS-0163031
- SCHEMBL13550103
- AKOS025396413
- CS-12295
- 5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene
- MDL： MFCD29044867
- Inchi： 1S/C9H8BrF3/c1-5-3-7(10)4-8(6(5)2)9(11,12)13/h3-4H,1-2H3
- InChI Key： AINASRYWSBKQSE-UHFFFAOYSA-N
- SMILES： FC(C1C(C)=C(C)C=C(Br)C=1)(F)F

Computed Properties

Exact Mass: 251.97615g/mol
Monoisotopic Mass: 251.97615g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 13
Rotatable Bond Count: 0
Complexity: 178
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: 0
XLogP3: 4.2

5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
TRC	B092540-10mg	5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene	80245-29-0		10mg	$ 50.00	2022-06-01
TRC	B092540-50mg	5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene	80245-29-0		50mg	$ 135.00	2022-06-01
TRC	B092540-100mg	5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene	80245-29-0		100mg	$ 230.00	2022-06-01
Alichem	A019089831-1g	5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene	80245-29-0	95%	1g	$630.70	2023-09-01
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-YC941-250mg	5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene	80245-29-0	95+%	250mg	3942CNY	2021-05-07
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-YC941-100mg	5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene	80245-29-0	95+%	100mg	1643CNY	2021-05-07
abcr	AB486994-250 mg	5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene; .	80245-29-0		250MG	€120.60	2023-04-20
abcr	AB486994-1 g	5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene; .	80245-29-0		1g	€205.60	2023-04-20
eNovation Chemicals LLC	D697967-0.25g	5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene	80245-29-0	95%	0.25g	$230	2023-09-03
eNovation Chemicals LLC	D697967-1g	5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene	80245-29-0	95%	1g	$140	2024-07-20

5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:80245-29-0)5-Bromo-1,2-dimethyl-3-(trifluoromethyl)benzene

Order Number:A916080

Stock Status:in Stock

Quantity:5g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 12:58

Price ($):199.0

Email:[email protected]

Product Official Link

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Related Categories

Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Trifluoromethylbenzenes

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