4-hydroxyestradiol

Suppliers

Names

[ CAS No. ]:
5976-61-4

[ Name ]:
4-hydroxyestradiol

[Synonym ]:
4-Hydroxy-17β-estradiol
MFCD00063335
4-HYDROXYESTRADIOL
4-hydroxy-17beta-estradiol

Chemical & Physical Properties

[ Density]:
1.248g/cm3

[ Boiling Point ]:
468.6ºC at 760 mmHg

[ Melting Point ]:
>210ºC (dec.)

[ Molecular Formula ]:
C18H24O3

[ Molecular Weight ]:
288.38100

[ Flash Point ]:
220.6ºC

[ Exact Mass ]:
288.17300

[ PSA ]:
60.69000

[ LogP ]:
3.31480

[ Index of Refraction ]:
1.622

[ Storage condition ]:
−20°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KG7676000
CHEMICAL NAME :
Estra-1,3,5(10)-triene-3,4,17-beta-triol
CAS REGISTRY NUMBER :
5976-61-4
LAST UPDATED :
199712
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C18-H24-O3
MOLECULAR WEIGHT :
288.42

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
900 mg/kg/90D-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
1280 ng/kg
SEX/DURATION :
male 8 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - other effects on male Endocrine - androgenic
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
10 ug/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina

MUTATION DATA

TEST SYSTEM :
Rodent - hamster
DOSE/DURATION :
14 mg/kg/7D (Continuous)
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 15,997,1994

Safety Information

[ Symbol ]:

GHS08

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H351

[ Precautionary Statements ]:
P281

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
40

[ Safety Phrases ]:
S22;S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
KG7676000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-hydroxyestrone
  • beta-Estradiol
  • 3,4-bis(acetyloxy)-Estra-1,3,5(10)-trien-17-one
  • Bolandione
  • 4,5-Epoxy-5β-estra-3,17-dione
  • 4,5-Epoxy-5α-estra-3,17-dione
  • 4,5-Epoxy-5β-estra-1-ene-3,17-dione
  • Estra-1,3,5(10)-triene-3,17-diol,4-amino-, (17b)-(9CI)

DownStream

  • 1,3,5(10)-Estratrien-3,4,17beta-triol 4-methyl ether
  • 3-Methoxyestra-1,3,5(10)-triene-4,17β-diol
  • 4-hydroxyestradiol 3,4-dimethyl ether

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Related Compounds

  • 2-fluoro-4-hydroxyestradiol
  • 4-hydroxyestradiol 17-sulfate
  • 4-Hydroxyestradiol-16,16,17-d5
  • 4-hydroxyestradiol-3,4-dibenzoate
  • 17alpha-ethynyl-4-hydroxyestradiol
  • 4-hydroxyestradiol 3,4-dimethylether
  • methyl 6-bromo-4-chloro-1H-indole-2-carboxylate
  • Ethyl 6-bromo-4-chloro-1H-indole-2-carboxylate
  • 4-Bromo-6-(3,5-dimethoxyphenyl)pyrimidine
  • (2-methyl-2,3-dihydro-1H-indol-6-yl)methanamine
  • 4-Bromo-6-(3-fluoro-4-methylphenyl)pyrimidine
  • 4-Bromo-6-(2-bromophenyl)pyrimidine
  • 4-Bromo-6-(2-chloro-4-fluorophenyl)pyrimidine
  • 4-Bromo-6-(2,3-dimethoxyphenyl)pyrimidine
  • (2-Methyl-2,3-dihydro-1H-indol-7-yl)methanamine
  • 2-Amino-3-((tetrahydro-2H-pyran-4-yl)methoxy)benzoic acid
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