CAS 515-40-2

Neophyl chloride

Description:

Neophyl chloride, with the CAS number 515-40-2, is an organic compound classified as a chlorinated derivative of a phenolic compound. It is characterized by its white crystalline solid form and is known for its relatively low solubility in water, while being more soluble in organic solvents. The compound features a chloromethyl group, which contributes to its reactivity, particularly in nucleophilic substitution reactions. Neophyl chloride is often utilized in organic synthesis as an intermediate for producing various chemical products, including pharmaceuticals and agrochemicals. Its handling requires caution due to potential toxicity and irritant properties, necessitating appropriate safety measures during use. Additionally, it is important to consider its environmental impact, as chlorinated compounds can pose risks to aquatic life and ecosystems. Overall, Neophyl chloride serves as a valuable building block in synthetic chemistry, with applications that leverage its unique chemical properties.

Formula: C₁₀H₁₃Cl

InChI: InChI=1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3

InChI key: InChIKey=DNXXUUPUQXSUFH-UHFFFAOYSA-N

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

Synonyms:

• (1,1-Dimethyl-2-chloroethyl)benzene
• (1-Chloro-2-Methylpropan-2-Yl)Benzene
• (2-Chloro-1,1-dimethylethyl)benzene
• (β-Chloro-tert-butyl)benzene
• (β-Chloro-α,α-dimethyl)ethylbenzene
• 2-Methyl-2-phenylpropyl chloride
• Benzene, (2-chloro-1,1-dimethylethyl)-
• NSC 54159
• NSC 923
• Neophyl chloride
• beta-Chloro-tert-butylbenzene~(2-Chloro-1,1-dimethylethyl)benzene~2,2-Dimethyl-2-phenylethyl chloride~Neophyl chloride
• β,β-Dimethylphenethyl chloride

1-Chloro-2-methyl-2-phenylpropane

CAS: 515-40-2

Formula: C₁₀H₁₃Cl

Purity: >98.0%(GC)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 168.66

Ref: 3B-C1068

(1-chloro-2-methylpropan-2-yl)benzene

CAS: 515-40-2

Formula: C₁₀H₁₃Cl

Purity: 99%

Color and Shape: Liquid

Molecular weight: 168.6632

Ref: IN-DA003SYY

Neophyl Chloride

CAS: 515-40-2

Neophyl Chloride

Purity: 98%

Molecular weight: 168.66g/mol

Ref: 54-OR1029102

(1-Chloro-2-methylpropan-2-yl)benzene

CAS: 515-40-2

Purity: 99%

Molecular weight: 168.6600037

Ref: 10-F791068

2-Chloromethyl-2-phenylpropane

Controlled Product

CAS: 515-40-2

Applications 2-Chloromethyl-2-phenylpropane is a byproduct in the synthesis of Ethophenprox (E936400), a pyrethroid derivative which is used as an insecticide.
References Rakhimov, R.G., et. al.: Russ. J. Org. Chem., 38, 1629 (2002); Lehotay, S., et al.: J. AOAC Int., 88, 595 (2005); Paya, P., et al.: Anal. Bioanal. Chem., 389, 1697 (2007)

Formula: C₁₀H₁₃Cl

Color and Shape: Neat

Molecular weight: 168.66

Ref: TR-C368080