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MilliporeSigma

140112

4-Nitrobenzyl chloride

99%

Synonym(s):

α-Chloro-4-nitrotoluene

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About This Item

Linear Formula:
O2NC6H4CH2Cl
CAS Number:
100-14-1
Molecular Weight:
171.58
Beilstein/REAXYS Number:
387187
EC Number:
202-822-7
MDL number:
MFCD00007374
UNSPSC Code:
12352100
PubChem Substance ID:
24848454
NACRES:
NA.22

Key Documents

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Quality Level

100

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

SMILES string

[O-][N+](=O)c1ccc(CCl)cc1

InChI

1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2

InChI key

KGCNHWXDPDPSBV-UHFFFAOYSA-N

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1 of 4

This Item
73120112208191167
4-Nitrobenzyl chloride 99%

Sigma-Aldrich

140112

4-Nitrobenzyl chloride

4-Nitrobenzoyl chloride derivatization grade (HPLC), LiChropur™, ≥99.0% (GC)

Supelco

73120

4-Nitrobenzoyl chloride

4-Nitrobenzoyl chloride 98%

Sigma-Aldrich

112208

4-Nitrobenzoyl chloride

3-Nitrobenzyl chloride 97%

Sigma-Aldrich

191167

3-Nitrobenzyl chloride

assay

99%

assay

≥99.0% (GC)

assay

98%

assay

97%

Quality Level

100

Quality Level

100

Quality Level

200

Quality Level

100

solubility

chloroform: soluble 50 mg/mL, clear to very slightly hazy, faintly yellow

solubility

-

solubility

-

solubility

-

mp

70-73 °C (lit.)

mp

71-74 °C (lit.)

mp

71-74 °C (lit.)

mp

43-47 °C (lit.)

form

solid

form

crystals

form

solid

form

solid

functional group

chloro

functional group

-

functional group

acyl chloride, nitro

functional group

chloro, nitro

General description

4-Nitrobenzyl chloride acts as substrate for glutathione S-transferase(GST) in determination of GST in Chinese fetal liver[1]. It undergoes reduction by NADPH to yield 4-nitrotoluene[2].

Application

4-Nitrobenzyl chloride was used to prepare unsymmetrically N,N′-bis(substituted) 4,13-diaza-18-crown-6-ether derivatives.[3]

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

hcodes

H302,H314

Hazard Classifications

Acute Tox. 4 Oral - Skin Corr. 1B

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

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Certificates of Analysis (COA)

Lot/Batch Number
STBB6109
STBB6109V
S42416V
S42416-019
02330JJ

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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.
D Mansuy et al.
Biochemical pharmacology, 32(12), 1871-1879 (1983-06-15)
The benzyl halides benzyl bromide and 4-nitrobenzyl chloride are reduced anaerobically by NADPH and rat liver microsomes to yield toluene and 4-nitrotoluene, respectively. These reductions and cytochrome P-450-dependent since they are inhibited by CO and metyrapone, and are increased after
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
S V Singh et al.
Experimental eye research, 41(3), 405-413 (1985-09-01)
When rats were orally administered a daily dose of 300 mg kg-1 body weight of 3,5-di-t-butyl-4-hydroxytoluene (BHT) for 4 days, about 90% increase over basal level in total glutathione (GSH) S-transferase activity towards 1-chloro-2,4-dinitrobenzene (CDNB) was observed in ocular lens.
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