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Substance Name: 1-Monochloropinacoline
RN: 13547-70-1
UNII: Z6QD905NNW
InChIKey: ULSAJQMHTGKPIY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H11-Cl-O

Molecular Weight

  • 134.605
 
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Names and Synonyms

Name of Substance

  • 1-Monochloropinacoline

Synonyms

  • 1-Chloro-3,3-dimethyl-2-butanone
  • 1-Chloropinacolone
  • 1-Monochloropinacoline
  • alpha-Chloropinacolin
  • alpha-Chloropinacoline
  • Chloromethyl tert-butyl ketone
  • Chlorpinakolin
  • EINECS 236-920-6
  • tert-Butyl chloromethyl ketone
  • UNII-Z6QD905NNW

Systematic Names

  • 1-Chloro-3,3-dimethylbutan-2-one
  • 2-Butanone, 1-chloro-3,3-dimethyl-

Superlist Name

  • 2-Butanone, 1-chloro-3,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 13547-70-1

FDA UNII

  • Z6QD905NNW

System Generated Number

  • 0013547701

Structure Descriptors

InChI

1S/C6H11ClO/c1-6(2,3)5(8)4-7/h4H2,1-3H3

InChIKey

ULSAJQMHTGKPIY-UHFFFAOYSA-N

Smiles

O=C(C(C)(C)C)CCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 4600mg/m3 (4600mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(12), Pg. 91, 1987.
mouse LD50 oral 355mg/kg (355mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(12), Pg. 91, 1987.
rabbit LD50 oral 675mg/kg (675mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(12), Pg. 91, 1987.
rat LD50 oral 550mg/kg (550mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(12), Pg. 91, 1987.