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Merck
CN

191434

4-Nitrobenzylamine hydrochloride

97%

Synonym(s):

(4-Nitrophenyl)methanamine hydrochloride, 4-Nitrobenzenemethanamine hydrochloride, p-Nitrobenzylamine hydrochloride

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About This Item

Linear Formula:
O2NC6H4CH2NH2 · HCl
CAS Number:
18600-42-5
Molecular Weight:
188.61
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24851487
EC Number:
242-441-3
Beilstein/REAXYS Number:
3629994
MDL number:
MFCD00012863
Assay:
97%
Form:
solid

Key Documents

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InChI key

SMIXZZMSWYOQPW-UHFFFAOYSA-N

InChI

1S/C7H8N2O2.ClH/c8-5-6-1-3-7(4-2-6)9(10)11;/h1-4H,5,8H2;1H

SMILES string

Cl.NCc1ccc(cc1)[N+]([O-])=O

assay

97%

form

solid

mp

~265 °C (dec.) (lit.)

solubility

methanol:glacial acetic acid (1:1): soluble 25 mg/mL, clear, colorless to light yellow

functional group

amine, nitro

Quality Level

100

Related Categories

Application

4-Nitrobenzylamine hydrochloride was used in chemical modification of graphite powder and multiwalled carbon nanotubes. It was also used in the preparation of 2-fluoro-6-(4-nitrohenzylamino)purine.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR1935
SHBC9087V
85697KJV
85697KJ
08203EH

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The synthesis of a light-switchable amino acid for inclusion into conformationally mobile peptides.
Ulysse L and Chmielewski J.
Bioorganic & Medicinal Chemistry Letters, 4(17), 2145-2146 (1994)
M A Akyüz et al.
Journal of neural transmission (Vienna, Austria : 1996), 114(6), 693-698 (2007-04-03)
Computational studies using the ONIOM methods have been performed to probe the catalytic roles of tyrosine residues 398 and 435 which constitute the "aromatic cage" in the active site of MAO-B. The results presented here provide additional new insights into
A Z Kirkel' et al.
Voprosy meditsinskoi khimii, 32(2), 118-125 (1986-03-01)
Oxidation of p-nitro- and p-dimethylaminomethyl derivatives of benzylamine, catalyzed by amine oxidases from human placenta and blood serum, was studied. The amine oxidase activity was estimated by means of a spectrophotometric procedure involving measurement of aldehyde formed during the reaction
Gregory G Wildgoose et al.
Chemphyschem : a European journal of chemical physics and physical chemistry, 6(2), 352-362 (2005-03-09)
We demonstrate that graphite powder and multiwalled carbon nanotubes (MWCNTs) can be derivatised by 4-nitrobenzylamine (4-NBA) simply by stirring the graphite powder or MWCNTs in a solution of acetonitrile containing 10 mM 4-NBA. We propose that 4-NBA partially intercalates at
Combinatorial synthesis of 2, 9-substituted purines.
Gray NS, et al.
Tetrahedron Letters, 38(7), 1161-1164 (1997)
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