S-2-Chloroethyl O,O-diethylphosphorothioate

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Names

[ CAS No. ]:
6301-04-8

[ Name ]:
S-2-Chloroethyl O,O-diethylphosphorothioate

[Synonym ]:
Phosphorothioic acid,S-2-chloroethyl O,O-diethyl ester

Chemical & Physical Properties

[ Density]:
1.225g/cm3

[ Boiling Point ]:
269.4ºC at 760 mmHg

[ Molecular Formula ]:
C6H14ClO3PS

[ Molecular Weight ]:
232.66500

[ Flash Point ]:
116.7ºC

[ Exact Mass ]:
232.00900

[ PSA ]:
70.64000

[ LogP ]:
3.13950

[ Index of Refraction ]:
1.471

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TE7722000
CHEMICAL NAME :
Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester
CAS REGISTRY NUMBER :
6301-04-8
BEILSTEIN REFERENCE NO. :
1707295
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H14-Cl-O3-P-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
42840 ug/kg
TOXIC EFFECTS :
Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other esterases
REFERENCE :
AITDAQ Archiwum Immunologii i Terapii Doswiadczalnej. (Warsaw, Poland) V.1-9, 1953-61. For publisher information, see AITEAT. Volume(issue)/page/year: 6,333,1958

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • chloroethylsulfene chloride
  • Triethyl phosphite
  • ethene
  • Ethanol
  • thiophosphorodichloridic acid S-(2-chloro-ethyl) ester
  • diethoxy-phenylmethoxy-sulfanylidene-λ5-phosphane

DownStream

  • 2-Chloroethanesulfonyl chloride

Related Compounds

  • 1-[2-chloroethylsulfanyl(propoxy)phosphoryl]oxypropane
  • 2-chloroethylsulfanyl-diethoxy-sulfanylidene-phosphorane
  • S-(2-bromoethyl)O,O-dimethyl phosphorodithioate
  • S-(2-hydroxypropyl)O,O-dimethyl phosphorothioate
  • S-(2-Ethylthiopropyl)-O,O-dimethyldithiophosphat
  • (S)-2-O-benzyl-1-O-monochloroacetylglycerol