3984-34-7

Name 3-(4-Chlorobenzoyl)propionic acid
CAS 3984-34-7
EINECS(EC#) 223-627-3
Molecular Formula C10H9ClO3
MDL Number MFCD00002794
Molecular Weight 212.63
MOL File 3984-34-7.mol
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Chemical Properties

Appearance white to beige crystalline powder
Melting point  128-130 °C (lit.)
Boiling point  305.28°C (rough estimate)
density  1.2781 (rough estimate)
refractive index  1.5470 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  water: insoluble(lit.)
form  powder to crystal
pka 4.44±0.17(Predicted)
color  White to Orange to Green
Water Solubility  Insoluble
BRN  2104409
InChI InChI=1S/C10H9ClO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChIKey AHVASTJJVAYFPY-UHFFFAOYSA-N
SMILES C1(C=CC(Cl)=CC=1)C(=O)CCC(=O)O
CAS DataBase Reference 3984-34-7(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
HazardClass  IRRITANT
HS Code  29183000

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