56675-37-7

Name Boc-3-(2-thienyl)-L-alanine
CAS 56675-37-7
Molecular Formula C12H17NO4S
MDL Number MFCD00062051
Molecular Weight 271.33
MOL File 56675-37-7.mol
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Chemical Properties

Appearance White to off-white crystalline powder
Melting point  71-76 °C
alpha  11 º (c=1% in MeOH)
Boiling point  431.511±40.00 °C(Press: 760.00 Torr)(predicted)
density  1.2791 (rough estimate)
refractive index  1.6280 (estimate)
storage temp.  Store at RT.
form  Solid
pka 3.700±0.10(predicted)
color  White to off-white
Optical Rotation [α]20/D +11.0±2°, c = 1% in methanol
BRN  1388299
Major Application peptide synthesis
InChI InChI=1/C12H17NO4S/c1-12(2,3)17-11(16)13-9(10(14)15)7-8-5-4-6-18-8/h4-6,9H,7H2,1-3H3,(H,13,16)(H,14,15)/t9-/s3
InChIKey OJLISTAWQHSIHL-DJEYLCQNNA-N
SMILES [C@H](C(=O)O)(NC(=O)OC(C)(C)C)CC1SC=CC=1 |&1:0,r|
CAS DataBase Reference 56675-37-7(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P280-P304+P340-P305+P351+P338
Hazard Codes  Xi
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
HazardClass  IRRITANT
HS Code  29349990
Storage Class 11 - Combustible Solids

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