ChemicalBook > CAS DataBase List > 1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, 5-Bromo-2-fluoro-4-methylnitrobenzene

1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, 5-Bromo-2-fluoro-4-methylnitrobenzene

Product Name
1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, 5-Bromo-2-fluoro-4-methylnitrobenzene
CAS No.
170098-98-3
Chemical Name
1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, 5-Bromo-2-fluoro-4-methylnitrobenzene
Synonyms
2-BroMo-5-fluoro-4-nitrotoluene;2-Bromo-5-fluoro-4-nitrotoluene97%;2-Bromo-5-fluoro-4-nitrotoluene 97%;5-BroMo-2-fluoro-4-Methylnitrobenzene;4-Fluoro-2-methyl-5-nitrobromobenzene;1-Bromo-4-fluoro-2-methyl-5-nitrobenzene;Benzene, 1-bromo-4-fluoro-2-methyl-5-nitro-;1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, 5-Bromo-2-fluoro-4-methylnitrobenzene
CBNumber
CB32699409
Molecular Formula
C7H5BrFNO2
Formula Weight
234.02
MOL File
170098-98-3.mol
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1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, 5-Bromo-2-fluoro-4-methylnitrobenzene Property

Boiling point:
290.7±35.0 °C(Predicted)
Density 
1.696±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
solubility 
Chloroform (Slightly), DMSO (Slightly)
form 
Solid
color 
White to Off-White
InChI
InChI=1S/C7H5BrFNO2/c1-4-2-6(9)7(10(11)12)3-5(4)8/h2-3H,1H3
InChIKey
VMXDJIHJOUZBAW-UHFFFAOYSA-N
SMILES
C1(Br)=CC([N+]([O-])=O)=C(F)C=C1C
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Safety

HS Code 
2904990090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC
Product number
B692588
Product name
1-Bromo-4-fluoro-2-methyl-5-nitrobenzene
Packaging
500mg
Price
$60
Updated
2021/12/16
Usbiological
Product number
409350
Product name
1-Bromo-4-fluoro-2-methyl-5-nitrobenzene
Packaging
100mg
Price
$305
Updated
2021/12/16
Apolloscientific
Product number
PC51134
Product name
2-Bromo-5-fluoro-4-nitrotoluene
Purity
97%
Packaging
1g
Price
$73
Updated
2021/12/16
SynQuest Laboratories
Product number
4754-B-X2
Product name
2-Bromo-5-fluoro-4-nitrotoluene
Purity
97%
Packaging
1g
Price
$80
Updated
2021/12/16
AK Scientific
Product number
X8161
Product name
1-Bromo-4-fluoro-2-methyl-5-nitrobenzene
Packaging
1g
Price
$84
Updated
2021/12/16
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1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, 5-Bromo-2-fluoro-4-methylnitrobenzene Chemical Properties,Usage,Production

Synthesis

452-63-1

170098-98-3

Step 1: Nitration reaction Suspend 2.21 g (16.7 mmol) of nitronium tetrafluoroborate in 30 mL of dichloromethane. Under reflux conditions, 3.0 g (15.9 mmol) of 2-bromo-5-fluorotoluene dissolved in 30 mL of dichloromethane was slowly added dropwise. After the dropwise addition was completed, the reaction mixture was continued to be stirred under reflux conditions for 6 hours. Upon completion of the reaction, the mixture was poured into ice water and extracted with dichloromethane. The organic phases were combined, washed with water, dried over anhydrous sodium sulfate and subsequently concentrated on a rotary evaporator to give a yellow oil. The oil was allowed to stand overnight and the oil crystallized. The crystals were collected by filtration, washed with 2 mL of pentane and dried to give 265 mg (6.9% yield) of the target product 1-bromo-4-fluoro-2-methyl-5-nitrobenzene. The product was analyzed by GC/MS (Method 8, EIpos): retention time Rt = 4.49 min, mass-to-charge ratio m/z = 232/234 [M]+.

References

[1] Patent: WO2007/36718, 2007, A2. Location in patent: Page/Page column 57-58
[2] Patent: US2005/154020, 2005, A1. Location in patent: Page/Page column 8-9
[3] Patent: US2005/154022, 2005, A1. Location in patent: Page/Page column 9
[4] Patent: US2006/79523, 2006, A1. Location in patent: Page/Page column 13
[5] Patent: US2006/79524, 2006, A1. Location in patent: Page/Page column 13

1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, 5-Bromo-2-fluoro-4-methylnitrobenzene Preparation Products And Raw materials

Raw materials

Preparation Products

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1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, 5-Bromo-2-fluoro-4-methylnitrobenzene Suppliers

Beijing Laikefute Technology Co. , Ltd.
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SuZhou ShiYa Biopharmaceuticals, Inc.
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170098-98-3, 1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, 5-Bromo-2-fluoro-4-methylnitrobenzeneRelated Search:


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