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247103

Sigma-Aldrich

2-Bromo-5-nitrotoluene

98%

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About This Item

Linear Formula:
CH3C6H3(NO2)Br
CAS Number:
7149-70-4
Molecular Weight:
216.03
EC Number:
230-481-4
MDL number:
MFCD00007281
UNSPSC Code:
12352100
PubChem Substance ID:
24854850
NACRES:
NA.22

Quality Level

100

Assay

98%

mp

78-80 °C (lit.)

SMILES string

Cc1cc(ccc1Br)[N+]([O-])=O

InChI

1S/C7H6BrNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3

InChI key

HIMGPQVBNICCGL-UHFFFAOYSA-N

Application

2-Bromo-5-nitrotoluene has been used in the synthesis of :
  • 4′-amino-4-hydroxy-2′-methylbiphenyl
  • 3′:4-dinitro-2-methyldiphenyl ether via condensation with potassium m-nitrophenoxide

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

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16. Substitution in the methyl-4'-nitro-and-4'-acetamido-diphenyl ethers.
Scarborough HA and Sweeten JL.
Journal of the Chemical Society, 52-56 (1934)
Dimorphs of 4'-amino-4-hydroxy-2'-methylbiphenyl: Assessment of likelihood of polymorphism in flexible molecules.
Dey A and Desiraju GR.
CrystEngComm, 8(6), 477-481 (2006)

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