Estra-1,3,5(10)-triene-3,17-diol,4-fluoro-, (17b)-(9CI)

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Names

[ CAS No. ]:
1881-37-4

[ Name ]:
Estra-1,3,5(10)-triene-3,17-diol,4-fluoro-, (17b)-(9CI)

[Synonym ]:
N-triisopropylsilyl-4-fluoro-7-azaindole
4-Fluoroestradiol
1-triisopropyl-4-fluoro-7-azaindole

Chemical & Physical Properties

[ Density]:
1.225g/cm3

[ Boiling Point ]:
427.1ºC at 760mmHg

[ Molecular Formula ]:
C18H23FO2

[ Molecular Weight ]:
290.37200

[ Flash Point ]:
212.1ºC

[ Exact Mass ]:
290.16800

[ PSA ]:
40.46000

[ LogP ]:
3.74830

[ Vapour Pressure ]:
4.7E-08mmHg at 25°C

[ Index of Refraction ]:
1.586

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KG7535000
CHEMICAL NAME :
Estra-1,3,5(10)-triene-3,17-beta-diol, 4-fluoro-
CAS REGISTRY NUMBER :
1881-37-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H23-F-O2
MOLECULAR WEIGHT :
290.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
360 mg/kg/15W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
MOPMA3 Molecular Pharmacology. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1965- Volume(issue)/page/year: 23,278,1983

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • beta-Estradiol

DownStream

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 1-[(2-Bromo-6-nitrophenyl)methyl]-3-methylpiperidine
  • 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
  • (2S)-4-(3-tert-butylphenyl)butan-2-amine
  • 3-[(Prop-2-yn-1-yl)(propan-2-yl)amino]pyridine-4-carboxylic acid
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde