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Substance Name: tert-Butyl chloroacetate
RN: 107-59-5
UNII: 05TMW98298
InChIKey: KUYMVWXKHQSIAS-UHFFFAOYSA-N

Molecular Formula

  • C6-H11-Cl-O2

Molecular Weight

  • 150.604
 
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Names and Synonyms

Name of Substance

  • tert-Butyl chloroacetate

Synonyms

  • AI3-39154
  • Chloroacetic acid tert-butyl ester
  • EINECS 203-506-1
  • NSC 87891
  • tert-Butyl chloroacetate
  • UNII-05TMW98298

Systematic Names

  • Acetic acid, 2-chloro-, 1,1-dimethylethyl ester
  • Acetic acid, chloro-, 1,1-dimethylethyl ester
  • Acetic acid, chloro-, tert-butyl ester (8CI)
  • tert-Butyl chloroacetate

Registry Numbers

CAS Registry Number

  • 107-59-5

FDA UNII

  • 05TMW98298

System Generated Number

  • 0000107595

Structure Descriptors

InChI

1S/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3

InChIKey

KUYMVWXKHQSIAS-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation 4738mg/m3/4H (4738mg/m3) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: TREMOR
International Journal of Toxicology. Vol. 19, Pg. 333, 2000.
rat LD50 oral 380mg/kg (380mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
International Journal of Toxicology. Vol. 19, Pg. 333, 2000.
rat LD50 skin 1414mg/kg (1414mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
International Journal of Toxicology. Vol. 19, Pg. 333, 2000.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 150 deg C   EXP
log P (octanol-water) 1.990 (none)   EST
Atmospheric OH Rate Constant 6.12E-13 cm3/molecule-sec 25 EST

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