49647-20-3

Name 4-ACETYLPHENYL ISOCYANATE
CAS 49647-20-3
Molecular Formula C9H7NO2
MDL Number MFCD00013879
Molecular Weight 161.16
MOL File 49647-20-3.mol
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Chemical Properties

Melting point  35-37 °C(lit.)
Boiling point  139 °C14 mm Hg(lit.)
density  1.2480 (rough estimate)
refractive index  1.5050 (estimate)
Fp  >230 °F
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
form  powder to lump to clear liquid
color  White or Colorless to Light yellow
Sensitive  Moisture Sensitive
BRN  2803022
InChI 1S/C9H7NO2/c1-7(12)8-2-4-9(5-3-8)10-6-11/h2-5H,1H3
InChIKey MOZSVHZOUDIZMF-UHFFFAOYSA-N
SMILES CC(=O)c1ccc(cc1)N=C=O
CAS DataBase Reference 49647-20-3(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 
S7:Keep container tightly closed .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S37/39:Wear suitable gloves and eye/face protection .
RIDADR  2206
WGK Germany  3
HS Code  2929.10.8090
HazardClass  6.1
PackingGroup  III
Storage Class 11 - Combustible Solids
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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