616-75-1

Name Benzylmalonic acid
CAS 616-75-1
EINECS(EC#) 210-491-5
Molecular Formula C10H10O4
MDL Number MFCD00004261
Molecular Weight 194.18
MOL File 616-75-1.mol
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Chemical Properties

Appearance COLOURLESS TO WHITE CRYSTALS OR CRYSTALLINE POWDER
Melting point  117-120 °C (lit.)
Boiling point  290.62°C (rough estimate)
density  1.2534 (rough estimate)
refractive index  1.5430 (estimate)
storage temp.  Refrigerator
solubility  Chloroform, DMSO, Ethyl Acetate, Methanol
form  Solid
pka 3.18±0.10(Predicted)
color  Pale Yellow
BRN  643530
InChI InChI=1S/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)
InChIKey JAEJSNFTJMYIEF-UHFFFAOYSA-N
SMILES C(O)(=O)C(CC1=CC=CC=C1)C(O)=O
CAS DataBase Reference 616-75-1(CAS DataBase Reference)
NIST Chemistry Reference Benzylmalonic acid(616-75-1)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
RTECS  OO0525000
HS Code  29173990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

Material Safety Data Sheet(MSDS)

Spectrum Detail

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