480-54-6

Name RETRORSINE
CAS 480-54-6
EINECS(EC#) 999-999-2
Molecular Formula C18H25NO6
MDL Number MFCD00013331
Molecular Weight 351.39
MOL File 480-54-6.mol
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Chemical Properties

Melting point  208-211 °C(lit.)
alpha  D18 -17.6° (c = 1.99 in ethanol)
Boiling point  485.2°C (rough estimate)
density  1.32±0.1 g/cm3 (20 ºC 760 Torr)
refractive index  1.5100 (estimate)
storage temp.  ?20°C
solubility  DMSO: Slightly soluble: 0.1-1 mg/mlPBS (pH 7.2): Slightly soluble: 0.1-1 mg/ml
form  neat
pka 12.00±0.40(Predicted)
color  White to off-white
Merck  13,8253
InChI InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-/m1/s1
InChIKey BCJMNZRQJAVDLD-VMOBWIEOSA-N
SMILES N12CC=C3COC(=O)[C@@](O)(CO)[C@H](C)C/C(=C/C)/C(=O)O[C@@]([H])([C@]13[H])CC2
CAS DataBase Reference 480-54-6
IARC 3 (Vol. 10, Sup 7) 1987
EPA Substance Registry System Retrorsine (480-54-6)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H300+H310+H330
Precautionary statements  P260-P262-P264-P280-P302+P352+P310-P304+P340+P310
Hazard Codes  T
Risk Statements 
Safety Statements 
RIDADR  1544
WGK Germany  3
RTECS  VH7525000
HazardClass  6.1(a)
PackingGroup  II
Safety Profile
Poison by ingestion, intraperitoneal, and intravenous routes. Questionable carcinogen with experimental neoplastigenic and tumorigenic data. hhtation data reported. When heated to decomposition it emits toxic fumes of NOx.
Hazardous Substances Data 480-54-6(Hazardous Substances Data)

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