Cas no 898746-87-7 (5-Bromo-2-methyl-3-nitrobenzonitrile)

5-Bromo-2-methyl-3-nitrobenzonitrile is a halogenated nitrile compound featuring a bromo substituent at the 5-position, a methyl group at the 2-position, and a nitro group at the 3-position of the benzonitrile scaffold. This structurally diverse intermediate is valuable in synthetic organic chemistry, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The presence of multiple functional groups allows for selective modifications, enabling its use in cross-coupling reactions, nucleophilic substitutions, and cyclization processes. Its high purity and stability make it suitable for research and industrial applications requiring precise functionalization of aromatic systems. The compound is typically handled under controlled conditions due to its reactivity.

5-Bromo-2-methyl-3-nitrobenzonitrile structure

898746-87-7 structure

Product Name:5-Bromo-2-methyl-3-nitrobenzonitrile

CAS No:898746-87-7

MF:C₈H₅BrN₂O₂

MW:241.041500806808

CID:1033018

PubChem ID:24728913

Update Time:2025-06-06

5-Bromo-2-methyl-3-nitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

- 5-Bromo-2-methyl-3-nitrobenzonitrile
- DTXSID70646570
- CS-0373259
- SCHEMBL1343512
- 898746-87-7
- DB-368448
- MDL： MFCD08458971
- Inchi： 1S/C8H5BrN2O2/c1-5-6(4-10)2-7(9)3-8(5)11(12)13/h2-3H,1H3
- InChI Key： HBONHUOGXRYXIG-UHFFFAOYSA-N
- SMILES： BrC1C=C(C#N)C(C)=C(C=1)[N+](=O)[O-]

Computed Properties

Exact Mass: 239.95344g/mol
Monoisotopic Mass: 239.95344g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 13
Rotatable Bond Count: 1
Complexity: 255
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: 69.6?2

5-Bromo-2-methyl-3-nitrobenzonitrile Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Alichem	A013016209-250mg	5-Bromo-2-methyl-3-nitrobenzonitrile	898746-87-7	97%	250mg	$470.40	2023-08-31
Alichem	A013016209-500mg	5-Bromo-2-methyl-3-nitrobenzonitrile	898746-87-7	97%	500mg	$847.60	2023-08-31
Alichem	A013016209-1g	5-Bromo-2-methyl-3-nitrobenzonitrile	898746-87-7	97%	1g	$1534.70	2023-08-31
TRC	B817080-10mg	5-Bromo-2-methyl-3-nitrobenzonitrile	898746-87-7		10mg	$ 50.00	2022-06-06
TRC	B817080-50mg	5-Bromo-2-methyl-3-nitrobenzonitrile	898746-87-7		50mg	$ 135.00	2022-06-06
TRC	B817080-100mg	5-Bromo-2-methyl-3-nitrobenzonitrile	898746-87-7		100mg	$ 230.00	2022-06-06
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1443929-1g	5-Bromo-2-methyl-3-nitrobenzonitrile	898746-87-7	95+%	1g	￥5714.00	2024-04-26