(S)-2-Chloromandelic acid Structure

(S)-2-Chloromandelic acid

Chemical Properties

Melting point 118-121 °C(lit.)
Boiling point 350.3±27.0 °C(Predicted)
alpha  124 º (c=3,H2O)
Density  1.468±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Methanol, Water
pka 3.30±0.10(Predicted)
form  Powder
color  White to pale brown
InChI 1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m0/s1
InChIKey RWOLDZZTBNYTMS-ZETCQYMHSA-N
SMILES O[C@H](C(O)=O)c1ccccc1Cl
CAS DataBase Reference 52950-19-3(CAS DataBase Reference)
FDA UNII P3948WAT0C
UNSPSC Code 12352101
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  37/39-26-36
WGK Germany  3
HS Code  29181990
Storage Class 11 - Combustible Solids
NFPA 704:
0
2 0

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(S)-2-Chloromandelic acid Spectrum