140112
4-Nitrobenzyl chloride
99%
Synonym(s):
α-Chloro-4-nitrotoluene
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About This Item
Linear Formula:
O2NC6H4CH2Cl
CAS Number:
Molecular Weight:
171.58
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-822-7
Beilstein/REAXYS Number:
387187
MDL number:
Assay:
99%
Form:
solid
mp
70-73 °C (lit.)
solubility
chloroform: soluble 50 mg/mL, clear to very slightly hazy, faintly yellow
functional group
chloro, nitro
InChI key
KGCNHWXDPDPSBV-UHFFFAOYSA-N
InChI
1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
SMILES string
[O-][N+](=O)c1ccc(CCl)cc1
assay
99%
form
solid
Quality Level
Related Categories
General description
4-Nitrobenzyl chloride acts as substrate for glutathione S-transferase(GST) in determination of GST in Chinese fetal liver. It undergoes reduction by NADPH to yield 4-nitrotoluene.
Application
4-Nitrobenzyl chloride was used to prepare unsymmetrically N,N′-bis(substituted) 4,13-diaza-18-crown-6-ether derivatives.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Regulatory Information
危险化学品
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P Jemth et al.
The Journal of biological chemistry, 275(12), 8618-8624 (2000-03-18)
Ser(11) in rat glutathione transferase T2-2 is important for stabilization of the reactive enzyme-bound glutathione thiolate in the reaction with 1-menaphthyl sulfate. The S11A mutation increased the pK(a) value for the pH dependence of the rate constant for pre-steady-state product
Tetrahedron Letters, 34, 95-95 (1993)
S B Lei et al.
Zhongguo yao li xue bao = Acta pharmacologica Sinica, 11(5), 389-391 (1990-09-01)
Subcellular fractions were isolated from Chinese fetal liver at 4-8 months of age for the determination of glutathione S-transferase (GST). Using 1-chloro-2,4-dinitrobenzene (CDNB) as substrate, GST activity was found to be 66 +/- 34 nmol/(min.mg protein), mainly in the cytosol.
S N Moreno et al.
The Journal of biological chemistry, 261(17), 7811-7815 (1986-06-15)
The o-, m-, and p-nitrobenzyl chlorides are reduced aerobically and anaerobically by NADPH and rat hepatic microsomes. Under aerobic conditions, these nitro anion radicals reduce oxygen to superoxide as demonstrated by oxygen consumption and spin trapping of superoxide with 5,5-dimethyl-1-pyrroline
K Datta et al.
Early human development, 37(3), 167-174 (1994-06-01)
Glutathione S-transferase (GST) with activity towards CDNB as a substrate from human intrauterine conceptual tissues (HICT) at 6-10 weeks of gestation was purified approximately 200-fold by GSH coupled Sepharose 4B affinity chromatography. The preparations of affinity purified HICT-GST were used
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