1-Acetoxy-3-chloroacetone

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Names

[ CAS No. ]:
40235-68-5

[ Name ]:
1-Acetoxy-3-chloroacetone

[Synonym ]:
1-Acetoxy-3-acetenyl Chloride
(3-chloro-2-oxopropyl) acetate
3-Chloro-2-oxopropyl acetate
1-Acetoxy-3-chloro-2-propanone
2-Propanone, 1-(acetyloxy)-3-chloro-

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
200.9±20.0 °C at 760 mmHg

[ Molecular Formula ]:
C5H7ClO3

[ Molecular Weight ]:
150.560

[ Flash Point ]:
86.4±20.8 °C

[ Exact Mass ]:
150.008377

[ PSA ]:
43.37000

[ LogP ]:
1.16

[ Vapour Pressure ]:
0.3±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.431

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF8600000
CHEMICAL NAME :
Acetic acid, chloroacetylmethyl ester
CAS REGISTRY NUMBER :
40235-68-5
BEILSTEIN REFERENCE NO. :
1759066
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H7-Cl-O3
MOLECULAR WEIGHT :
150.57
WISWESSER LINE NOTATION :
G1V1OV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
71 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 20,644,1977

Safety Information

[ Hazard Codes ]:
T

[ Risk Phrases ]:
23/24/25-34

[ Safety Phrases ]:
23-26-36/37/39

[ RIDADR ]:
UN 2922

[ RTECS ]:
AF8600000

[ Packaging Group ]:
II

[ HS Code ]:
2915390090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Chloro-2-propen-1-ol
  • acetic acid
  • Potassium acetate
  • 1,3-Dichloroacetone
  • Sodium acetate
  • Ethanoic anhydride

DownStream

  • 2-(6-iodoimidazo[1,2-b]pyridazin-2-yl)ethanol
  • [2-sulfanylidene-3-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]methyl acetate
  • (2-oxo-3-sulfanylpropyl) acetate

Customs

[ HS Code ]: 2915390090

[ Summary ]:
2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%

Related Compounds

  • 1-Acetoxy-3-methyl-3-butanol
  • 1-Acetoxy-3-carbamoyl-indol-carbonsaeure-(2)
  • 1-acetoxy-3-methoxy-1,3-diphenylpropane
  • 1-acetoxy-3-[3-(methyl-diphenyl-silanyl)-propoxy]-2-oxiranylmethoxy-propane
  • 1-Acetoxy-3-methylcholanthrene
  • 1-acetoxy-3-diacetoxymethyl-2-nitro-benzene