2H-Isoindole-2-butanoicacid, 1,3-dihydro-a-hydroxy-1,3-dioxo-, (aS)-

Product Name: (2S)-4-(1,3-Dioxoisoindolin-2-yl)-2-hydroxybutanoic acid (CAS NO.48172-10-7)

Molecular Formula: C₁₂H₁₁NO₅
Molecular Weight: 249.22g/mol
Mol File: 48172-10-7.mol
Appearance: white to light yellow crystal powde
Melting Point: 157-159 ºC
Boiling point: 513.1 °C at 760 mmHg
Flash Point: 264.1 °C
Density: 1.504 g/cm³
Surface Tension: 74.3 dyne/cm
Enthalpy of Vaporization: 82.59 kJ/mol
Vapour Pressure: 2.37E-11 mmHg at 25°C
XLogP3-AA: 1.4
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of (2S)-4-(1,3-Dioxoisoindolin-2-yl)-2-hydroxybutanoic acid (CAS NO.48172-10-7):
  IUPAC Name: (2S)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxybutanoate
  Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(C(=O)[O-])O
  Isomeric SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC[C@@H](C(=O)[O-])O
  InChI: InChI=1S/C12H11NO5/c14-9(12(17)18)5-6-13-10(15)7-3-1-2-4-8(7)11(13)16/h1-4,9,14H,5-6H2,(H,17,18)/p-1/t9-/m0/s1 
  InChIKey: YWDXODQRCDEZLN-VIFPVBQESA-M
Product Categories: chiral; API intermediates; N-Substituted Maleimides, Succinimides & Phthalimides; N-Substituted Phthalimides; Chiral Building Blocks; Heterocyclic Building Blocks; Indoles

Safety Information of (2S)-4-(1,3-Dioxoisoindolin-2-yl)-2-hydroxybutanoic acid (CAS NO.48172-10-7):
Hazard Codes: Xi
Risk Statements: 36/37/38  
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3