56651-60-6

Name 4-Methoxybenzyl isocyanate
CAS 56651-60-6
Molecular Formula C9H9NO2
MDL Number MFCD00673064
Molecular Weight 163.17
MOL File 56651-60-6.mol
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Chemical Properties

Appearance clear colourless to yellow liquid
Boiling point  60-66 °C/0.6 mmHg (lit.)
density  1.143 g/mL at 25 °C(lit.)
refractive index  n20/D 1.433(lit.)
Fp  >230 °F
storage temp.  2-8°C
Detection Methods GC,NMR,MS
InChI InChI=1S/C9H9NO2/c1-12-9-4-2-8(3-5-9)6-10-7-11/h2-5H,6H2,1H3
InChIKey QRBHVARIMDDOOV-UHFFFAOYSA-N
SMILES C1(CN=C=O)=CC=C(OC)C=C1
CAS DataBase Reference 56651-60-6(CAS DataBase Reference)
Storage Precautions Moisture sensitive;Store under nitrogen

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 .
R42:May cause sensitization by inhalation.
Safety Statements 
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  UN 2206PSN1B 6.1 / PGIII
WGK Germany  3
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29291090
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3

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