Cas no 885519-13-1 (5-Bromo-1-chloro-2-methyl-3-nitrobenzene)

5-Bromo-1-chloro-2-methyl-3-nitrobenzene structure

885519-13-1 structure

Product Name:5-Bromo-1-chloro-2-methyl-3-nitrobenzene

CAS No:885519-13-1

MF:C₇H₅BrClNO₂

MW:250.477100133896

MDL:MFCD07781356

CID:840361

PubChem ID:24728106

Update Time:2024-12-09

5-Bromo-1-chloro-2-methyl-3-nitrobenzene Chemical and Physical Properties

Names and Identifiers

- 4-Bromo-2-chloro-6-nitrotoluene
- 5-bromo-1-chloro-2-methyl-3-nitrobenzene
- 5-Bromo-1-chloro-2-methyl-3-nitro-benzene
- 5-Bromo-1-chloro-2-methyl-3-nitrobenzene (ACI)
- SB39572
- BS-50121
- E76328
- CS-0187847
- 885519-13-1
- MFCD07781356
- SCHEMBL20576955
- DTXSID70646171
- DB-205742
- 5-Bromo-1-chloro-2-methyl-3-nitrobenzene
- MDL： MFCD07781356
- Inchi： 1S/C7H5BrClNO2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,1H3
- InChI Key： KQMXGSGRIHBQGJ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(C)=C(Cl)C=C(Br)C=1)=O

Computed Properties

Exact Mass: 248.91922g/mol
Monoisotopic Mass: 248.91922g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Heavy Atom Count: 12
Rotatable Bond Count: 1
Complexity: 185
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: 3.4
Topological Polar Surface Area: 45.8?2

5-Bromo-1-chloro-2-methyl-3-nitrobenzene Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	03R0267-1g	5-Bromo-1-chloro-2-methyl-3-nitro-benzene	885519-13-1	97%	1g	3375.21CNY	2021-05-08
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	03R0267-5g	5-Bromo-1-chloro-2-methyl-3-nitro-benzene	885519-13-1	97%	5g	13483.87CNY	2021-05-08
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	03R0267-500mg	5-Bromo-1-chloro-2-methyl-3-nitro-benzene	885519-13-1	97%	500mg	2111.63CNY	2021-05-08
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	03R0267-250mg	5-Bromo-1-chloro-2-methyl-3-nitro-benzene	885519-13-1	97%	250mg	1484.07CNY	2021-05-08
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	03R0267-100mg	5-Bromo-1-chloro-2-methyl-3-nitro-benzene	885519-13-1	97%	100mg	1161.82CNY	2021-05-08
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	03R0267-50mg	5-Bromo-1-chloro-2-methyl-3-nitro-benzene	885519-13-1	97%	50mg	992.21CNY	2021-05-08
TRC	B732798-10mg	5-Bromo-1-chloro-2-methyl-3-nitrobenzene	885519-13-1		10mg	$ 50.00	2022-06-06
TRC	B732798-50mg	5-Bromo-1-chloro-2-methyl-3-nitrobenzene	885519-13-1		50mg	$ 95.00	2022-06-06
TRC	B732798-100mg	5-Bromo-1-chloro-2-methyl-3-nitrobenzene	885519-13-1		100mg	$ 160.00	2022-06-06
abcr	AB535901-100 mg	5-Bromo-1-chloro-2-methyl-3-nitro-benzene; .	885519-13-1		100MG	€274.50	2022-07-29

5-Bromo-1-chloro-2-methyl-3-nitrobenzene Production Method

Production Method 1

89794-02-5

885519-13-1

Reaction Conditions

1.1 Reagents: 5,5-Dimethyl-1,3-dinitro-2,4-imidazolidinedione Catalysts: Ytterbium triflate Solvents: 1,1,1,3,3,3-Hexafluoro-2-propanol ; 2 h, rt → 60 °C

Reference

Dinitro-5,5-Dimethylhydantoin: An Arene Nitration Reagent

Jia, Fuqiang; Li, Ao; Hu, Xiangdong, Organic Letters, 2023, 25(25), 4605-4609