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Diethylstilbestrol

Diethylstilbestrol structure

CAS No:
6898-97-1
Formula:
C18H20O2
Chemical Name:
Diethylstilbestrol
Synonyms:
diethyl stilbestrol
Categories:
Active Pharmaceutical Ingredients > Hormones and the Endocrine System

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Description

White solid

Solid

Diethylstilbestrol Basic Attributes

Molecular Weight：

268.350

Exact Mass：

268.146332

DSSTox ID：

DTXSID3040770

HScode：

2942000000

Characteristics

PSA：

40.46000

XLogP3：

5.93

Density：

1.1±0.1 g/cm3

Melting Point：

170-172ºC

Boiling Point：

407.1±25.0 °C at 760 mmHg

Flash Point：

186.9±17.8 °C

Refractive Index：

1.603

Water Solubility：

1.09e-02 g/L

Safety Information

Packing level：

III

Transport codes：

UN 3077

wgk germany：

hazard class code：

R45;R61;R36/37/38;R51/53

safety instructions：

S53-S36/37/39-S45-S60-S61

RTECS Number：

WJ5600000

Marks：

T: Toxic;N: Dangerous for the environment;

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P264, P273, P280, P281, P302+P352, P305+P351+P338, P308+P313, P321, P332+P313, P337+P313, P362, P391, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:268.3
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:268.146329876
Monoisotopic Mass:268.146329876
Topological Polar Surface Area:40.5
Heavy Atom Count:20
Complexity:286
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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