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1615-02-7

Name 4-Chlorocinnamic acid
CAS 1615-02-7
EINECS(EC#) 216-564-8
Molecular Formula C9H7ClO2
MDL Number MFCD00004396
Molecular Weight 182.6
MOL File 1615-02-7.mol
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Chemical Properties

Appearance white to light yellow crystal powder
Melting point  248-250 °C(lit.)
Boiling point  260.71°C (rough estimate)
density  1.2377 (rough estimate)
refractive index  1.5426 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form  Fine Crystalline Powder
pka 4.41(at 25℃)
color  White
Detection Methods HPLC,NMR
BRN  1365308
InChI InChI=1S/C9H7ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)
InChIKey GXLIFJYFGMHYDY-ZZXKWVIFSA-N
SMILES C(O)(=O)C=CC1=CC=C(Cl)C=C1
CAS DataBase Reference 1615-02-7(CAS DataBase Reference)
NIST Chemistry Reference p-Chlorocinnamic acid(1615-02-7)
EPA Substance Registry System 1615-02-7(EPA Substance)

Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
RTECS  GD8490000
Hazard Note  Irritant
HS Code  29163990

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