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Substance Name: 4-Chlorobenzalpinacolone
RN: 1577-03-3
UNII: 57DJP999E2
InChIKey: LXJZYHPGRKBVGF-RMKNXTFCSA-N

Classification Codes

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)
  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)

Molecular Formula

  • C13-H15-Cl-O

Molecular Weight

  • 222.7135
 
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Names and Synonyms

Name of Substance

  • 4-Chlorobenzalpinacolone

Synonym

  • UNII-57DJP999E2

Systematic Name

  • 1-Penten-3-one, 1-(4-chlorophenyl)-4,4-dimethyl-

Registry Numbers

CAS Registry Number

  • 1577-03-3

FDA UNII

  • 57DJP999E2

System Generated Number

  • 0001577033

Structure Descriptors

InChI

1S/C13H15ClO/c1-13(2,3)12(15)9-6-10-4-7-11(14)8-5-10/h4-9H,1-3H3/b9-6+

InChIKey

LXJZYHPGRKBVGF-RMKNXTFCSA-N

Smiles

C(=C\C(=O)C(C)(C)C)/c1ccc(cc1)Cl