Neophyl chloride

CAS Registry Number®

515-40-2

CAS Name

Neophyl chloride

Molecular Formula

C10H13Cl

Molecular Mass

168.66

Cite this Page

Neophyl chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=515-40-2 (retrieved 2025-03-28) (CAS RN: 515-40-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    90-91 °C @ Press: 9 Torr

  • Melting Point (2)

    79.5-80.5 °C

  • Density (1)

    1.043 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=DNXXUUPUQXSUFH-UHFFFAOYSA-N

SMILES

C(CCl)(C)(C)C1=CC=CC=C1

Canonical SMILES

ClCC(C=1C=CC=CC1)(C)C

Other Names for this Substance

  • Benzene, (2-chloro-1,1-dimethylethyl)-
  • (2-Chloro-1,1-dimethylethyl)benzene
  • (β-Chloro-tert-butyl)benzene
  • (β-Chloro-α,α-dimethyl)ethylbenzene
  • 1-Chloro-2-methyl-2-phenylpropane

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