UNII:5N825YLR9Q

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Names

[ CAS No. ]:
3221-15-6

[ Name ]:
UNII:5N825YLR9Q

[Synonym ]:
2-(Chloromethyl)thiirane
1,2-Epithio-3-chloropropane
MFCD00041199
Epithiochlorohydrine
3-Chloropropylene sulfide
2-chloromethyl thiirane
Thioepichlorhydrin
Thiirane,(chloromethyl)
chloromethylthiirane
UNII:5N825YLR9Q
Thioepichlorohydrin
Chloropropylene sulfide
Thiirane, 2-(chloromethyl)-
2-Thiiranylmethyl chloride
EPITHIOCHLOROHYDRIN
1-Chloro-2,3-epithiopropane

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
159.6±13.0 °C at 760 mmHg

[ Molecular Formula ]:
C3H5ClS

[ Molecular Weight ]:
108.590

[ Flash Point ]:
57.5±17.0 °C

[ Exact Mass ]:
107.980049

[ PSA ]:
25.30000

[ LogP ]:
0.57

[ Appearance of Characters ]:
Liquid | Clear colorless to light yellow

[ Vapour Pressure ]:
3.2±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.545

[ Storage condition ]:
0-6°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TX4725000
CHEMICAL NAME :
Propane, 1-chloro-2,3-epithio-
CAS REGISTRY NUMBER :
3221-15-6
BEILSTEIN REFERENCE NO. :
0102466
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C3-H5-Cl-S
MOLECULAR WEIGHT :
108.59
WISWESSER LINE NOTATION :
T3STJ B1G

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 :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1088,1986
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
305 ppm/6H
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes Lungs, Thorax, or Respiration - fibrosis, focal (pneumoconiosis) Lungs, Thorax, or Respiration - acute pulmonary edema
REFERENCE :
BECTA6 Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 6,509,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
41 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - ataxia Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 25,560,1964

Safety Information

[ Hazard Codes ]:
T: Toxic;

[ Risk Phrases ]:
43-34-23/24/25

[ Safety Phrases ]:
45-38-36/37/39-28A-26-24

[ HS Code ]:
2903199000

Synthetic Route

Precursor & DownStream

Precursor

  • Epichlorohydrin
  • Potassium thiocyanate
  • Thiocarbanilide

DownStream

  • thietan-3-ol
  • N-hydroxythietan-3-amine
  • ALLYL PHENYL SULFIDE
  • ALLYL CHLORIDE
  • pentane-3-thiol
  • Allyl Methyl Sulfide
  • 2-ethylthiirane
  • 2-chloro-1-(thietan-3-yl)benzimidazole
  • 2-(2-phenylethyl)thiirane
  • prop-2-enylsulfanylmethylbenzene

Customs

[ HS Code ]: 2903199000

[ Summary ]:
2903199000 other saturated chlorinated derivatives of acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%