2-Chloroallylidene diacetate

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Names

[ CAS No. ]:
5459-90-5

[ Name ]:
2-Chloroallylidene diacetate

[Synonym ]:
3,3-diacetoxy-2-chloro-propene
2-Chloroallylidene,3,3-diacetate
YGU1
2-Propene-1,1-diol,2-chloro-,diacetate
3,3-Diacetoxy-2-chlor-propen
1-Propene-1,1-diol,2-chloro-,diacetate
2-Chloroallylidene diacetate

Chemical & Physical Properties

[ Density]:
1.221g/cm3

[ Boiling Point ]:
239.6ºC at 760 mmHg

[ Molecular Formula ]:
C7H9ClO4

[ Molecular Weight ]:
192.59700

[ Flash Point ]:
97.7ºC

[ Exact Mass ]:
192.01900

[ PSA ]:
52.60000

[ LogP ]:
1.19120

[ Index of Refraction ]:
1.45

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UC8924000
CHEMICAL NAME :
1-Propene-1,1-diol, 2-chloro-, diacetate
CAS REGISTRY NUMBER :
5459-90-5
BEILSTEIN REFERENCE NO. :
1779479
LAST UPDATED :
199806
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C7-H9-Cl-O4
MOLECULAR WEIGHT :
192.61
WISWESSER LINE NOTATION :
1VOYOV1&YGU1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8 ppm/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
980 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951

Safety Information

[ HS Code ]:
2915390090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-chloroprop-1-en-1-one
  • Ethanoic anhydride

DownStream

  • 3-chloroquinolin-8-ol

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

  • TAXOL, 7,2-DIACETATE,
  • D-Xylofuranose,1,2-diacetate 3-(4-methylbenzenesulfonate) 5-(methyl carbonate) (9CI)
  • diethyl α-bromobenzene-1,2-diacetate
  • diethyl αα'-dibromobenzene-1,2-diacetate
  • 3-C-Methyl-β-D-xylofuranose 1,2-diacetate 3,5-carbonate
  • 3-C-Methyl-β-D-xylofuranose 1,2-diacetate 3,5-dibenzoate