13531-48-1

Name Methyl 3-cyanobenzoate
CAS 13531-48-1
EINECS(EC#) 620-003-6
Molecular Formula C9H7NO2
MDL Number MFCD00220156
Molecular Weight 161.16
MOL File 13531-48-1.mol
show more

Chemical Properties

Melting point  58 °C
Boiling point  267.2±23.0 °C(Predicted)
density  1.18±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
color  White to Off-White
InChI InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H3
InChIKey XPBHWSMZTSSEJE-UHFFFAOYSA-N
SMILES C(OC)(=O)C1=CC=CC(C#N)=C1
LogP 1.82
CAS DataBase Reference 13531-48-1(CAS DataBase Reference)
NIST Chemistry Reference 3-CN-C6H4-COOCH3(13531-48-1)
EPA Substance Registry System 13531-48-1(EPA Substance)

Safety Data

Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  UN3439
TSCA  TSCA listed
REACH Registrations Active
HazardClass  6.1
HS Code  2916399090

Hazard Information

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

Related Products

Send Inquriy