179324-87-9

Name (aR,3aS,4S,6S,7aR)-Hexahydro-3a,8,8-trimethyl-alpha-(2-methylpropyl)-4,6-methano-1,3,2-benzodioxaborole-2-methanamine 2,2,2-trifluoroacetate
CAS 179324-87-9
EINECS(EC#) 2017-001-1
Molecular Formula C17H29BF3NO4
MDL Number MFCD10566030
Molecular Weight 379.23
MOL File 179324-87-9.mol
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Chemical Properties

Melting point  157-159°C
storage temp.  Inert atmosphere,2-8°C
solubility  Ethanol (Slightly), Methanol (Slightly)
form  Solid
color  White to Off-White
Optical Rotation Consistent with structure
InChI InChI=1/C15H28BNO2.C2HF3O2/c1-9(2)6-13(17)16-18-12-8-10-7-11(14(10,3)4)15(12,5)19-16;3-2(4,5)1(6)7/h9-13H,6-8,17H2,1-5H3;(H,6,7)/t10-,11-,12+,13-,15-;/s3
InChIKey SRFQKJZNJYTMNI-XXOUUVOINA-N
SMILES C(F)(F)(F)C(=O)O.C[C@@]12OB([C@@H](N)CC(C)C)O[C@]1([H])C[C@]1([H])C[C@@]2([H])C1(C)C |&1:8,11,18,21,24,r|
CAS DataBase Reference 179324-87-9(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H332-H335
Precautionary statements  P261-P280-P305+P351+P338
Risk Statements 
Safety Statements 
WGK Germany  WGK 3
HS Code  29209090
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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