510-64-5

Name 19-HYDROXY-4-ANDROSTENE-3,17-DIONE
CAS 510-64-5
EINECS(EC#) 208-116-5
Molecular Formula C19H26O3
MDL Number MFCD00003616
Molecular Weight 302.41
MOL File 510-64-5.mol
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Chemical Properties

Appearance Off-White Solid
Melting point  168-169 °C(lit.)
Boiling point  485.4±45.0 °C(Predicted)
density  1.19±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Store in freezer, under -20°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 14.90±0.10(Predicted)
color  Off-White to Pale Yellow
Optical Rotation [α]/D +190±5°, c = 1 in chloroform
Usage A novel substituted estrogen as aromatase inhibitor
BRN  2567249
InChI InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1
InChIKey XGUHPTGEXRHMQQ-BGJMDTOESA-N
SMILES C1(=O)C=C2[C@](CO)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2
CAS DataBase Reference 510-64-5(CAS DataBase Reference)
NIST Chemistry Reference 19-Hydroxyandrost-4-ene-3,17-dione(510-64-5)

Safety Data

Symbol(GHS)  Health Hazard (GHS08)
GHS08
Signal word  Warning
Hazard statements  H361
Precautionary statements  P281
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
HS Code  29372900

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