5-(α,α,α-TRIFLUORO-m-TOLYOXYMETHYL)-2-

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Names

[ CAS No. ]:
3414-47-9

[ Name ]:
5-(α,α,α-TRIFLUORO-m-TOLYOXYMETHYL)-2-

Chemical & Physical Properties

[ Density]:
1.42g/cm3

[ Boiling Point ]:
317.1ºC at 760 mmHg

[ Molecular Formula ]:
C₁₁H₁₀F₃NO₂S

[ Molecular Weight ]:
277.26300

[ Flash Point ]:
145.6ºC

[ Exact Mass ]:
277.03800

[ PSA ]:
62.58000

[ LogP ]:
2.68630

[ Index of Refraction ]:
1.553

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RQ2275000

CHEMICAL NAME :: 2-Oxazolidinethione, 5-(((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)methyl)-

CAS REGISTRY NUMBER :: 3414-47-9

LAST UPDATED :: 199712

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C11-H10-F3-N-O2-S

MOLECULAR WEIGHT :: 277.28

WISWESSER LINE NOTATION :: T5MYOTJ BUS D1OR CXFFF

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 :: 524 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 10,322,1967

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1197 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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: 11,85,1966

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 451 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 10,322,1967 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3200 mg/kg/32D-C

TOXIC EFFECTS :: Endocrine - changes in thyroid weight

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 10,322,1967

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 8400 mg/kg/4W-C

TOXIC EFFECTS :: Liver - hepatitis (hepatocellular necrosis), diffuse Endocrine - changes in thyroid weight

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 10,322,1967 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 87500 ug/kg

SEX/DURATION :: female 1 day(s) pre-mating female 1-6 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated) Reproductive - Fertility - other measures of fertility

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 10,322,1967

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 25 mg/kg

SEX/DURATION :: female 4 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)

REFERENCE :: JRFSAR Journal of Reproduction and Fertility, Supplement. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) No.1- 1966- Volume(issue)/page/year: 4,15,1968

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 87500 ug/kg

SEX/DURATION :: female 1 day(s) pre-mating female 1-6 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated) Reproductive - Fertility - other measures of fertility

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 10,322,1967

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 25 mg/kg

SEX/DURATION :: female 4 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)

REFERENCE :: JRFSAR Journal of Reproduction and Fertility, Supplement. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) No.1- 1966- Volume(issue)/page/year: 4,15,1968

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 80 mg/kg

SEX/DURATION :: female 1-8 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - other measures of fertility

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: 11,85,1966

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 320 mg/kg

SEX/DURATION :: female 1-8 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - other measures of fertility

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: 11,85,1966

Safety Information

[ HS Code ]:
2934999090

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

3-Methoxy-5-(α,α,α-trifluoro-m-tolyl)-1,2,4-triazine
3-Methylthio-5-(α,α,α-trifluoro-m-tolyl)-1,2,4-triazine
3-(o-Tolyl)-5-(α,α,α-trifluoro-m-tolyl)-1H-1,2,4-triazole
2,3,5,6-Tetrahydro-5-(α,α,α-trifluoro-m-tolyl)imidazo[2,1-a]isoquinolin-5-ol
1-methyl-5-(3-trifluoromethyl-phenyl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one
Fluridone
(R)-1-(3,5-Dichloropyridin-4-yl)ethan-1-amine
16,23,29-Trihydroxy-3-oxo-olean-12-en-28-oic acid
2-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]isoquinolin-1(2H)-one
6-Bromo-3-(2-((2-((tert-butyldimethylsilyl)oxy)ethyl)thio)phenyl)-[1,2,4]triazolo[4,3-a]pyridine
2-(1H-imidazol-1-yl)-5-methylbenzoic acid
1-oxo-3-phenyl-3,4-dihydro-2H-isoquinoline-4-carboxylic acid
1-{9-Hydroxy-3-oxa-7-azabicyclo[3.3.1]nonan-7-yl}ethan-1-one
1-(3,5-difluorophenyl)-5-(1H-pyrrol-1-yl)-N-(tetrahydrofuran-2-ylmethyl)-1H-pyrazole-4-carboxamide
N-[4-(acetylamino)phenyl]-4-butyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
1-Amino-1-(3-chlorophenyl)acetone