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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:
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

Signal Word

Danger

Hazard Statements

H314,H335

Hazard Classifications

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

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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