56651-57-1

Name 4-Methylbenzyl isocyanate
CAS 56651-57-1
Molecular Formula C9H9NO
MDL Number MFCD00673060
Molecular Weight 147.17
MOL File 56651-57-1.mol
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Chemical Properties

Appearance clear colorless to yellow liquid
Boiling point  55 °C/0.5 mmHg (lit.)
density  1.052 g/mL at 25 °C(lit.)
refractive index  n20/D 1.522(lit.)
Fp  215 °F
storage temp.  2-8°C
form  Liquid
color  Clear colorless to yellow
Detection Methods GC
InChI 1S/C9H9NO/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3
InChIKey KNYDWDHLGFMGCO-UHFFFAOYSA-N
SMILES Cc1ccc(CN=C=O)cc1
CAS DataBase Reference 56651-57-1(CAS DataBase Reference)
Storage Precautions Store under argon gas;Moisture sensitive

Safety Data

Hazard Codes  Xn
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  2206
WGK Germany  3
HazardClass  IRRITANT
HS Code  29291090
Storage Class 10 - Combustible liquids
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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