7764-95-6

Name BOC-D-Alanine
CAS 7764-95-6
EINECS(EC#) 616-484-7
Molecular Formula C8H15NO4
MDL Number MFCD00063123
Molecular Weight 189.21
MOL File 7764-95-6.mol
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Chemical Properties

Appearance white powder
Melting point  81-84 °C
alpha  26 º (c=2,EtOH)
Boiling point  324.46°C (rough estimate)
density  1.2321 (rough estimate)
refractive index  26 ° (C=2, AcOH)
storage temp.  -20°C
solubility  Chloroform, DMSO, Methanol
form  Powder
pka 4.02±0.10(Predicted)
color  White
Detection Methods T,NMR
BRN  2048396
InChI InChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1
InChIKey QVHJQCGUWFKTSE-RXMQYKEDSA-N
SMILES C(O)(=O)[C@@H](C)NC(OC(C)(C)C)=O
CAS DataBase Reference 7764-95-6(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P271-P280
Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
HazardClass  IRRITANT
HS Code  29241990

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