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191647

Sigma-Aldrich

3,5-Dinitrobenzyl chloride

97%

Synonym(s):

α-Chloro-3,5-dinitrotoluene

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About This Item

Linear Formula:
(O2N)2C6H3CH2Cl
CAS Number:
74367-78-5
Molecular Weight:
216.58
Beilstein/REAXYS Number:
2506587
EC Number:
277-841-7
MDL number:
MFCD00007234
UNSPSC Code:
12352100
PubChem Substance ID:
24851501
NACRES:
NA.22

Quality Level

200

assay

97%

form

solid

mp

79-82 °C (lit.)

SMILES string

[O-][N+](=O)c1cc(CCl)cc(c1)[N+]([O-])=O

InChI

1S/C7H5ClN2O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4H2

InChI key

SMJODKZAFKWUJG-UHFFFAOYSA-N

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Application

3,5-Dinitrobenzyl chloride was used in the synthesis of double-spanned double cavity calix[4]arenes and 3,5-dinitrobenzylamines. It also was used in fluorescence flow immunoassay for determination of 4-nitrophenol.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

target_organs

Respiratory system

Storage Class

8A - Combustible, corrosive hazardous materials

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Synthesis of non-symmetrical 3, 5-diamidobenzyl amines, ethers and sulfides.
Barker D, et al.
Tetrahedron Letters, 49(10), 1660-1664 (2008)
Calixarenes. 27. Synthesis, characterization, and complexation studies of double-cavity calix [4] arenes.
Gutsche CD and See KA.
The Journal of Organic Chemistry, 57(16), 4527-4539 (1992)
Competitive flow immunoassay with fluorescence detection for determination of 4-nitrophenol.
Nistor C, et al.
Analytica Chimica Acta, 426(2), 185-195 (2001)

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