CAS 100-14-1

4-Nitrobenzyl chloride

Description:

4-Nitrobenzyl chloride, with the CAS number 100-14-1, is an organic compound characterized by its aromatic structure, featuring a nitro group (-NO2) and a benzyl chloride group (-CH2Cl) attached to a benzene ring. This compound appears as a pale yellow to light brown liquid or solid, depending on the temperature and purity. It is known for its reactivity, particularly in nucleophilic substitution reactions, where the chlorine atom can be replaced by various nucleophiles. The presence of the nitro group enhances the electrophilicity of the benzyl chloride, making it a useful intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. 4-Nitrobenzyl chloride is moderately soluble in organic solvents like ether and chloroform but has limited solubility in water. Safety precautions are necessary when handling this compound, as it can be harmful if inhaled or ingested, and it may cause skin and eye irritation. Proper storage in a cool, dry place away from light is recommended to maintain its stability.

Formula: C₇H₆ClNO₂

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

InChI key: InChIKey=KGCNHWXDPDPSBV-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=CC=C(CCl)C=C1

Synonyms:

• 1-(Chloromethyl)-4-nitrobenzene
• 4-(Chloromethyl)nitrobenzene
• 4-Chloromethyl-1-nitrobenzene
• 4-Nitrobenzyl chloride
• 4-Nitrophenylmethyl chloride
• Benzyl Chloride, 4-Nitro-
• Nsc 9803
• Toluene, α-chloro-p-nitro-
• p-(Chloromethyl)nitrobenzene
• p-Nitrobenzyl chloride
• Α-Cloro-4-Nitrotolueno
• α-Chlor-4-nitrotoluol
• α-Chloro-4-nitrotoluene
• α-Chloro-p-nitrotoluene
• 1-(chloromethyl)-3-nitrobenzene
• alpha-Chloro-4-nitrotoluene

4-Nitrobenzyl chloride, 99%

CAS: 100-14-1

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₇H₆ClNO₂

Purity: 99%

Color and Shape: White to cream to pale yellow, Crystals or powder or crystalline powder or lumps

Molecular weight: 171.58

Ref: 02-A15749

4-Nitrobenzyl Chloride

CAS: 100-14-1

Formula: C₇H₆ClNO₂

Purity: >98.0%(GC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 171.58

Ref: 3B-C0229

4-Nitrobenzyl chloride

CAS: 100-14-1

Formula: C₇H₆ClNO₂

Purity: ≥ 98.0%

Color and Shape: White to off-white or light-yellow powder or crystals

Molecular weight: 171.58

Ref: 7W-GK1498

4-Nitrobenzyl chloride

CAS: 100-14-1

4-Nitrobenzyl chloride

Purity: 98%

Color and Shape: Solid

Molecular weight: 171.58g/mol

Ref: 54-OR40572

4-Nitrobenzyl chloride; >98%

CAS: 100-14-1

Formula: C₇H₆ClNO₂

Purity: 95.0%

Color and Shape: Solid, Crystalline

Molecular weight: 171.58

Ref: 10-F160700

4-Nitrobenzyl chloride

CAS: 100-14-1

4-Nitrobenzyl chloride is a chemical compound that is used as an intermediate in the production of resorcinol and other organic compounds. 4-Nitrobenzyl chloride is highly resistant to detoxification enzymes in rat liver microsomes, making it a potential biomarker for exposure to toxic compounds. It has been shown to form acid when it reacts with magnesium salt, which can lead to cellular damage. 4-Nitrobenzyl chloride forms reactive carbonyl oxygens that can react with nucleophiles such as thiols or amines. This reaction forms a nitrene, which can react with oxygen, nitrogen, or carbon dioxide to form nitrous acid or nitric acid.

Formula: C₇H₆ClNO₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 171.58 g/mol

Ref: 3D-FN37241