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21640-48-2

Name 3-(3-CHLOROPHENYL)PROPIONIC ACID
CAS 21640-48-2
EINECS(EC#) 626-900-9
Molecular Formula C9H9ClO2
MDL Number MFCD01310801
Molecular Weight 184.62
MOL File 21640-48-2.mol

Chemical Properties

Melting point  72-76 °C (lit.)
Boiling point  263.86°C (rough estimate)
density  1.1989 (rough estimate)
refractive index  1.5242 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  solid
pka 4.59(at 25℃)
Appearance White to off-white Solid
InChI 1S/C9H9ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)
InChIKey CLTDVBQNUHHYCA-UHFFFAOYSA-N
SMILES OC(=O)CCc1cccc(Cl)c1
CAS DataBase Reference 21640-48-2(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
R22:Harmful if swallowed.
R41:Risk of serious damage to eyes.
R43:May cause sensitization by skin contact.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
WGK Germany  3
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29163990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1
Skin Sens. 1

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