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Substance Name: Neophyl chloride
RN: 515-40-2
UNII: OF6E0410NF
InChIKey: DNXXUUPUQXSUFH-UHFFFAOYSA-N

Classification Code

  • TSCA Flag T (Subject to the Section 4 Test Rule under TSCA)

Molecular Formula

  • C10-H13-Cl

Molecular Weight

  • 168.666
 
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Names and Synonyms

Name of Substance

  • Neophyl chloride

Synonyms

  • (beta-Chloro-alpha,alpha-dimethyl)ethylbenzene
  • (beta-Chloro-tert-butyl)benzene
  • 2-Methyl-2-phenylpropyl chloride
  • beta,beta-Dimethylphenethyl chloride
  • EINECS 208-197-7
  • Neophyl chloride
  • NSC 54159
  • UNII-OF6E0410NF

Systematic Names

  • (2-Chloro-1,1-dimethylethyl)benzene
  • Benzene, (2-chloro-1,1-dimethylethyl)-

Superlist Name

  • Benzene, (2-chloro-1,1-dimethylethyl)-

Registry Numbers

CAS Registry Number

  • 515-40-2

FDA UNII

  • OF6E0410NF

System Generated Number

  • 0000515402

Structure Descriptors

InChI

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

InChIKey

DNXXUUPUQXSUFH-UHFFFAOYSA-N

Smiles

c1(ccccc1)C(CCl)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 223 deg C   EXP
log P (octanol-water) 4.160 (none)   EST
Atmospheric OH Rate Constant 5.07E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.