| Identification | |
| Name: | Estra-1,3,5(10)-triene-3,17-diol(17b)-,3,17-bis[4-[bis(2-chloroethyl)amino]benzeneacetate] |
| Synonyms: | Estra-1,3,5(10)-triene-3,17-diol(17b)-, bis[4-[bis(2-chloroethyl)amino]benzeneacetate](9CI); Estradiol, bis[[p-[bis(2-chloroethyl)amino]phenyl]acetate] (8CI); Aceticacid, [p-[bis(2-chloroethyl)amino]phenyl]-, diester with estradiol (8CI);Estradiol mustard; NSC 112259 |
| CAS: | 22966-79-6 |
| Molecular Formula: | C42H50 Cl4 N2 O4 |
| Molecular Weight: | 788.74 |
| InChI: | InChI=1/C40H46Cl4N2O4/c1-40-17-16-34-33-13-11-32(49-38(47)27-2-7-30(8-3-27)45(22-18-41)23-19-42)26-29(33)6-12-35(34)36(40)14-15-37(40)50-39(48)28-4-9-31(10-5-28)46(24-20-43)25-21-44/h2-5,7-11,13,26,34-37H,6,12,14-25H2,1H3/t34-,35-,36+,37+,40+/m1/s1 |
| Molecular Structure: | ![(C42H50Cl4N2O4) Estra-1,3,5(10)-triene-3,17-diol(17b)-, bis[4-[bis(2-chloroethyl)amino]benzeneacetate](9CI); Estradi...](https://img1.guidechem.com/chem/e/dict/109/22966-79-6.jpg) |
| Properties | |
| Melting Point: | 40-65 deg C (freeze dried) |
| Flash Point: | 468.3°C |
| Boiling Point: | 850.8°Cat760mmHg |
| Density: | 1.30 |
| Refractive index: | 1.625 |
| Solubility: | Soluble in dimethyl sulphoxide and N,N-dimethylformamide, but addition of water causes precipitation; soluble in benzene, chloroform, ethyl acetate, and 2-methoxyethanol. Insoluble in water |
| Specification: |
Estradiol mustard (CAS NO.22966-79-6) is also called 17b-Estradiol, bis((p-(bis(2-chloroethyl)amino)phenyl)acetate) ; AI3-52864 ; Bis((4-(bis(2-chloroethyl)amino)benzene)acetate)estra-1,3,5(10)-triene-3,17-diol(17beta) ; Bis((p-(bis(2-chloroethyl)amino)phenyl)acetate)estra-1,3,5(10)-triene-3,17-beta-diol ; Bis((p-(bis(2-chloroethyl)amino)phenyl)acetate)estradiol ; Bis((p-(bis(2-chloroethyl)amino)phenyl)acetate)oestradiol ; CCRIS 283 ; HSDB 7075 ; NCI-C01570 ; NSC 112259 ; Oestradiol mustard . Estradiol mustard (CAS NO.22966-79-6) is off-white powder ans insoluble in water. When heated to decomposition Estradiol mustard (CAS NO.22966-79-6) emits toxic fumes. Flash point data for Estradiol mustard (CAS NO.22966-79-6) are not available. Estradiol mustard (CAS NO.22966-79-6) is probably combustible. |
| Report: |
IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , 1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 9 , 1975,p. 217.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NCI Carcinogenesis Bioassay (gavage); Clear Evidence: mouse NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-59 ,1978. ; No Evidence: rat NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-59 ,1978. . |
| Flash Point: | 468.3°C |
| Safety Data | |
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