Butanal,2,2,3-trichloro-

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Names

[ CAS No. ]:
76-36-8

[ Name ]:
Butanal,2,2,3-trichloro-

[Synonym ]:
Butyrchloral
2,2,3-trichloro-1-oxobutane
Butyraldehyde,2,2,3-trichloro
Anhydrous butylchloral
2,2,3-trichloro-butyraldehyde
Butylchloral
Butanal,2,2,3-trichloro
2,2,3-Trichlor-butyraldehyd
Crotonchloral

Chemical & Physical Properties

[ Density]:
1.387g/cm3

[ Boiling Point ]:
165ºC at 760 mmHg

[ Molecular Formula ]:
C4H5Cl3O

[ Molecular Weight ]:
175.44100

[ Flash Point ]:
64.6ºC

[ Exact Mass ]:
173.94100

[ PSA ]:
17.07000

[ LogP ]:
1.98650

[ Index of Refraction ]:
1.469

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ES3850000
CHEMICAL NAME :
Butyraldehyde, 2,2,3-trichloro-
CAS REGISTRY NUMBER :
76-36-8
BEILSTEIN REFERENCE NO. :
1749046
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C4-H5-Cl3-O
MOLECULAR WEIGHT :
175.44
WISWESSER LINE NOTATION :
VHXGGYG1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
125 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay)
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,218,1954

Synthetic Route

Precursor & DownStream

Precursor

  • 2-Butenal, 2-chloro-
  • Crotonaldehyde
  • Butanal, 2,3-dichloro-
  • paraldehyde
  • ch3cho
  • 2,2,3-trichlorobutane-1,1-diol
  • Chlorine
  • Water
  • Ethanoic anhydride
  • 2,4-dimethyl-6-(1,1,2-trichloro-propyl)-[1,3,5]trioxane

DownStream

  • Crotonaldehyde
  • Crotyl alcohol
  • Butyraldehyde
  • Butanol
  • 1,1-DICHLOROPROPENE
  • 1,1-Diethoxyethane
  • ch3cho
  • ethyl acetate
  • 2,2,3-trichlorobutane-1,1-diol

Related Compounds

  • BUTANAL, 2,2,3-TRIMETHYL-
  • Butanal-2,2,3,3,4,4,4-d7
  • methyl 2,2,3-trichloro-18-hydroxyoctadecanoate
  • iron,2,2,3-trichloro-3-methyloxirane
  • N-(2,2,3-trichloro-1-hydroxypropyl)butanamide
  • methyl (2,2,3-trichloro-1-hydroxy-3-phenylpropyl)carbamate