1-CHLOROMETHYL-1,2-ETHANEDIOL DIACETATE

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Names

[ CAS No. ]:
869-50-1

[ Name ]:
1-CHLOROMETHYL-1,2-ETHANEDIOL DIACETATE

[Synonym ]:
1-chloro-2,3-diacetoxypropane
1,2-diacetoxy-3-chloropropane
3-Chloro-1,2-diacetoxypropane
3-chloro-1,2-propanediol
1,2-Diacetoxy-3-chlor-propan
1,2-bis-acetoyl-3-chloropropanediol

Chemical & Physical Properties

[ Density]:
1.195g/cm3

[ Boiling Point ]:
245ºC at 760 mmHg

[ Molecular Formula ]:
C7H11ClO4

[ Molecular Weight ]:
194.61300

[ Flash Point ]:
99.2ºC

[ Exact Mass ]:
194.03500

[ PSA ]:
52.60000

[ LogP ]:
0.72000

[ Index of Refraction ]:
1.439

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TY4205000
CHEMICAL NAME :
1,2-Propanediol, 3-chloro-, diacetate
CAS REGISTRY NUMBER :
869-50-1
BEILSTEIN REFERENCE NO. :
0879152
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H11-Cl-O4
MOLECULAR WEIGHT :
194.63
WISWESSER LINE NOTATION :
1VOY1G1OV1

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 :
340 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 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
77500 ug/kg
SEX/DURATION :
male 31 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)
REFERENCE :
JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 30,117,1972

Safety Information

[ HS Code ]:
2915390090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethanoic anhydride
  • 3-Chloro-1,2-propanediol
  • Epichlorohydrin
  • Triacetin
  • acetic acid
  • Glycerol
  • vinyl acetate
  • Isopropenyl acetate
  • Glycidol
  • Acetyl chloride

DownStream

  • (R)-3-Chloro-1,2-propanediol
  • (2S)-3-Chlorpropan-1,2-diol
  • 7-chloro-1-(2,3-dihydroxypropyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one

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-Fluoromethyl-1,2-ethanediol diacetate
  • 1-Oxiranyl-1,2-ethanediol Diacetate
  • 1-(chloromethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol,hydrochloride
  • 1-chloromethyl-1,2,2-trimethylcyclobutane
  • 1-(chloromethyl)-1,2,3-triazole hydrochloride
  • (S)-1-[1-Phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl]-1,2-ethanediol diacetate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine