CAS No.56-53-1,Diethylstilbestrol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	56-53-1
Name:	Diethylstilbestrol
Article Data:	46

Formula:	C₁₈H₂₀O₂
Molecular Weight:	268.356
Synonyms:	4,4'-Stilbenediol,a,a'-diethyl-, (E)- (8CI);4,4'-Stilbenediol, a,a'-diethyl-, trans- (4CI);Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-,(E)-;(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene;(E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol;(E)-Diethylstilbestrol;4,4'-Dihydroxy-a,b-diethylstilbene;4,4'-Dihydroxydiethylstilbene;Agostilben;Antigestil;Bertrol;Bio-des;Bufon;Comestrol;Cyren;Cyren A;DEB;DES;DES (synthetic estrogen);Dawe's destrol;Di-Estryl;Diethylstilbestrol;Distilbene;Domestrol;Estrobene;Estromenin;Estrosyn;Fonatol;Hi-Bestrol;Microest;Milestrol;NSC 3070;Oestromensyl;Palestrol;Serral;Sexocretin;Sibol;Stilbetin;Stilboefral;Stilboestrol;Synthoestrin;Synthofolin;Syntofolin;trans-4,4'-Dihydroxy-a,b-diethylstilbene;trans-Diethylstilbestrol;trans-a,a'-Diethyl-4,4'-stilbenediol;a,a'-Diethyl-4,4'-stilbenediol;a,a'-Diethylstilbenediol;
EINECS:	200-278-5
Density:	1.107 g/cm³
Melting Point:	170-172 °C(lit.)
Boiling Point:	407.1 °C at 760 mmHg
Flash Point:	186.9 °C
Solubility:	practically insoluble in water
Appearance:	White solid
Hazard Symbols:	T, N
Risk Codes:	45-61-36/37/38-51/53-40
Safety:	53-36/37/39-45-60-61
Transport Information:	UN 3077 9/PG 3
PSA:	40.46000
LogP:	4.82860

Synthetic route

: 130-79-0
Diethylstilbestrol dimethyl ether

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
Stage #1: Diethylstilbestrol dimethyl ether With boron tribromide In dichloromethane at -78 - 20℃; for 2h; Inert atmosphere; Stage #2: With water In dichloromethane at 0℃; for 0.5h;	63%
With boron tribromide-dimethyl sulfide complex In 1,2-dichloro-ethane at 83.5℃; for 576h;	50.2%
With potassium hydroxide; Dipropylene glycol at 215 - 235℃;

: 70-70-2
4-hydroxypropiophenone

A: 56-53-1
diethylstilbestrol

B: 7507-01-9
3,4-bis(4-hydroxyphenyl)-3,4-hexanediol

C: 22610-99-7
cis-3,4-Bis(p-hydroxyphenyl)-3-hexene

Conditions

Conditions	Yield
With titanium tetrachloride; zinc In tetrahydrofuran for 20h; Heating; Yield given;	A n/a B 27% C n/a
With titanium tetrachloride; zinc In tetrahydrofuran for 20h; Heating; Yields of byproduct given;	A n/a B 27% C n/a
With titanium tetrachloride; zinc In tetrahydrofuran for 20h; Heating; Yield given. Title compound not separated from byproducts;	A n/a B 27% C n/a

...Expand

: 10467-10-4
ethylmagnesium iodide

: 70244-10-9
4.4'-diethoxy-α.α'-diethyl-trans-stilbene

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 190 - 200℃;

: 10467-10-4
ethylmagnesium iodide

: 130-79-0
Diethylstilbestrol dimethyl ether

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 180 - 190℃;
at 180 - 190℃;

: 10467-10-4
ethylmagnesium iodide

: 4.4'-dipropyloxy-α.α'-diethyl-trans-stilbene

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 190 - 200℃;

: 10467-10-4
ethylmagnesium iodide

: 4.4'-dibutyloxy-α.α'-diethyl-trans-stilbene

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 190 - 200℃;

: 917-64-6
methyl magnesium iodide

: 130-79-0
Diethylstilbestrol dimethyl ether

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 170 - 175℃;
at 170 - 175℃;
at 170 - 175℃;
at 170 - 175℃;

: 64-17-5
ethanol

: 22610-99-7
cis-3,4-Bis(p-hydroxyphenyl)-3-hexene

: 56-53-1
diethylstilbestrol

: 130-79-0
Diethylstilbestrol dimethyl ether

: phenylmagnesium bromide

: 56-53-1
diethylstilbestrol

Conditions

Conditions	Yield
at 220℃;
at 220℃;

: 130-79-0
Diethylstilbestrol dimethyl ether

A: 56-53-1
diethylstilbestrol

B: 18839-90-2
(E)-4-[1-ethyl-2-(4-methoxyphenyl)-1-butenyl]-phenol

Conditions

Conditions	Yield
With potassium hydroxide; ethoxyethoxyethanol

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Chemistry

The Molecular formula of Diethylstilbestrol(56-53-1): C₁₈H₂₀O₂
The Molecular Weight of Diethylstilbestrol(56-53-1): 268.35
Molecular Structure :

EINECS: 200-278-5
Melting point: 170-172 °C(lit.)
storage temp.: 0-6°C
solubility methanol: 0.1 g/mL, clear, faintly yellow
Water Solubility: PRACTICALLY INSOLUBLE
Synonyms: LABOTEST-BB LT00233101;ALPHA,ALPHA'-DIETHYL-(E)-4,4'-STILBENEDIOL;DOMESTROL;GRAFESTROL;ESTROSYN;DIETHYLSTILBESTEROL;FONATOL;ALPHA;

Uses

Diethylstilbestrol(56-53-1) is a kind of hormone class medicine.

Toxicity Data With Reference

The TOXICITY of
1.human TDLo skin 60ug/kg/14D (0.06mg/kg)
Effect: SKIN AND APPENDAGES (SKIN): BREAST: OTHER
American Industrial Hygiene Association Journal. Vol. 20, Pg. 469, 1959.
2.mouse LD50 intraperitoneal 538mg/kg (538mg/kg)   Drugs of the Future. Vol. 8, Pg. 413, 1983.
3.mouse LD50 intravenous 300mg/kg (300mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 666, 1968.
4.mouse LD50 oral > 3gm/kg (3000mg/kg)   Drugs of the Future. Vol. 8, Pg. 413, 1983.
5.mouse LDLo subcutaneous 500mg/kg (500mg/kg)   Klinische Wochenscrift. Vol. 18, Pg. 156, 1939.
6.rat LD50 intraperitoneal 34mg/kg (34mg/kg)   Toxicology and Applied Pharmacology. Vol. 24, Pg. 142, 1973.
7.rat LD50 oral > 3gm/kg (3000mg/kg)   Drugs of the Future. Vol. 8, Pg. 413, 1983.
8.women TDLo oral 375ug/kg/30D- (0.375mg/kg)
Effect: BEHAVIORAL: TOXIC PSYCHOSIS,BEHAVIORAL: EXCITEMENT
American Journal of Psychiatry. Vol. 151, Pg. 1246, 1994.

Safety Profile

The Hazard Codes of Diethylstilbestrol(56-53-1):

N
HazardClass: 6.1(b)
The Risk Statements information of Diethylstilbestrol(56-53-1):
40: Limited evidence of a carcinogenic effect
45: May cause cancer
61: May cause harm to the unborn child
36/37/38: Irritating to eyes, respiratory system and skin
51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
The Safety Statements information of Diethylstilbestrol(56-53-1):
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
53: Avoid exposure - obtain special instruction before use
60: This material and/or its container must be disposed of as hazardous waste
61: Avoid release to the environment. Refer to special instructions safety data sheet
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
RTECS: WJ5600000
F: 10
PackingGroup: III