HuagongsheHuagongshe Chemistry Print Report · For research reference only
(2,4-~2~H_2_)Estra-1(10),2,4-triene-3,17-diol
oestradiol-d2 · β-estradiol-d2 · β-Estradiol-d? · 17-Estradiol-d2 · 17β-Estradiol-d2 · Estradiol-2,4-d2 · beta-Estradiol-d2 · 17BETA-ESTRADIOL-D2
Identifiers & Physical Properties
| CAS No. | 53866-33-4 |
|---|---|
| Molecular formula | C18H24O2 |
| Average molar mass | 274.4 g/mol |
| Monoisotopic mass | 274.1901835 g/mol |
| SMILES | [2H]c1cc2c(c([2H])c1O)CCC1C2CCC2(C)C1CC[C@@H]2O |
| InChIKey | VOXZDWNPVJITMN-CKJOQQCQSA-N |
| PubChem CID | 40913 |
| DTXSID | DTXSID50968641 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 40.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 382 |
| Melting point | 177 - 179°C |
| Storage conditions | -20°C Freezer |
| Solubility | DMSO (Slightly, Heated), Methanol (Slightly, Sonicated) |
| Physical state | Solid |
| Color | White to Off-White |
| InChI | 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1/i3D,10D |
| InChIKey | VOXZDWNPVJITMN-JXCLBMSPSA-N |
| SMILES | [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc4c([2H])c(O)c([2H])cc24 |
| UNSPSC Code | 12352115 |
| NACRES | NA.12 |
| GHS pictogram | GHS07,GHS08 |
| Signal word | Danger |
| GHS hazard statements | H302+H312+H332-H350-H360 |
| GHS precautionary statements | P202-P280-P301+P312-P302+P352+P312-P304+P340+P312-P308+P313 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type P3 (EN 143) respirator cartridges |
| Hazard symbols | T |
| Risk statements (R) | 45-46-61-20/21/22 |
| Safety statements (S) | 53-22-36/37/39-45 |
| Water hazard class (WGK) | 3 |
| RTECS number | KG6814500 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Hazard class | Aquatic Acute 1Aquatic Chronic 1Carc. 2Lact.Repr. 1A |
Safety & Regulations
| Personal protective equipment (PPE) | Eyeshields, Gloves, type P3 (EN 143) respirator cartridges |
|---|---|
| Water hazard class (WGK) | 3 |
| RTECS number | KG6814500 |
| Risk statements (R) | 45-46-61-20/21/22 |
| Signal word | Danger |
| GHS pictogram | GHS07,GHS08 |
| Hazard symbols | T |
| Safety statements (S) | 53-22-36/37/39-45 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| GHS hazard statements | H302+H312+H332-H350-H360 |
| Hazard class | Aquatic Acute 1Aquatic Chronic 1Carc. 2Lact.Repr. 1A |
| GHS precautionary statements | P202-P280-P301+P312-P302+P352+P312-P304+P340+P312-P308+P313 |
Applications & Uses
Uses
17beta-Estradiol-2,4-d2 (CAS# 53866-33-4) is a useful isotopically labeled research compound.