4-Phenoxybenzonitrile Structure

4-Phenoxybenzonitrile

Chemical Properties

Melting point 42-46 °C (lit.)
Boiling point 174 °C/4 mmHg
Density  1.17±0.1 g/cm3(Predicted)
Flash point 110 °C - closed cup
storage temp.  2-8°C
solubility  soluble in Methanol
form  clear liquid
color  Colorless to Light yellow to Light orange
InChI 1S/C13H9NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H
InChIKey UYHCIOZMFCLUDP-UHFFFAOYSA-N
SMILES N#Cc1ccc(Oc2ccccc2)cc1
CAS DataBase Reference 3096-81-9(CAS DataBase Reference)
Comptox DTXSID DTXSID90184949
UNSPSC Code 12352100

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302+H312+H332
Precautionary statements P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
Hazard Codes  Xn,Xi
Risk Statements  20/21/22
Safety Statements  26-36
RIDADR  3439
WGK Germany  3
Hazard Note  Irritant
HazardClass  6.1
PackingGroup  III
HS Code  29269090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
NFPA 704:
1
2 0

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