4854-84-6

Name 4'-Aminobiphenyl-4-carbonitrile
CAS 4854-84-6
Molecular Formula C13H10N2
MDL Number MFCD00191367
Molecular Weight 194.23
MOL File 4854-84-6.mol
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Chemical Properties

Melting point  182-186 °C(lit.)
Boiling point  320.68°C (rough estimate)
density  1.1579 (rough estimate)
refractive index  1.5014 (estimate)
storage temp.  2-8°C, protect from light
solubility  Chloroform, Methanol (Sparingly)
Water Solubility  Insoluble in water
form  powder to crystal
pka 3.78±0.10(Predicted)
color  White to Amber
InChI 1S/C13H10N2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8H,15H2
InChIKey CPJQKNUJNWPAPH-UHFFFAOYSA-N
SMILES Nc1ccc(cc1)-c2ccc(cc2)C#N
CAS DataBase Reference 4854-84-6(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn,N
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R41:Risk of serious damage to eyes.
R50:Very Toxic to aquatic organisms.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/39:Wear suitable protective clothing and eye/face protection .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 3077 9/PG 3
WGK Germany  2
RTECS  DV1763000
HS Code  2926907090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Acute 1
Eye Dam. 1

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