82104-74-3

Name 5-Cyanophthalide
CAS 82104-74-3
EINECS(EC#) 279-900-2
Molecular Formula C9H5NO2
MDL Number MFCD01072882
Molecular Weight 159.14
MOL File 82104-74-3.mol
show more

Chemical Properties

Appearance White to Pale Yellow Crystalline Solid
Melting point  201-205 °C(lit.)
Boiling point  407.5±45.0 °C(Predicted)
density  1.36±0.1 g/cm3(Predicted)
vapor pressure  0.012Pa at 25℃
storage temp.  Sealed in dry,Room Temperature
solubility  Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
form  Crystalline Powder
color  White to light yellow
Usage A useful synthetic intermediate
InChI InChI=1S/C9H5NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,5H2
InChIKey XEEGWTLAFIZLSF-UHFFFAOYSA-N
SMILES C1(=O)C2=C(C=C(C#N)C=C2)CO1
LogP 0.136 at 30℃ and pH5.03
Dissociation constant 0-0 at 30℃
CAS DataBase Reference 82104-74-3(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR  3439
WGK Germany  3
REACH Registrations Active
HS Code  29322000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

Related Products

Send Inquriy