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114772-54-2

Name 4-Bromomethyl-2-cyanobiphenyl
CAS 114772-54-2
EINECS(EC#) 425-280-5
Molecular Formula C14H10BrN
MDL Number MFCD00671503
Molecular Weight 272.14
MOL File 114772-54-2.mol

Chemical Properties

Appearance Cream powder
Melting point  125-128 °C (lit.)
Boiling point  413.2±38.0 °C(Predicted)
density  1.43±0.1 g/cm3(Predicted)
vapor pressure  0.1-0.2Pa at 20-25℃
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  Acetonitrile (Slightly), Chloroform (Slightly)
Water Solubility  Insoluble in water
form  powder to crystal
color  White to Almost white
InChI InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2
InChIKey LFFIEVAMVPCZNA-UHFFFAOYSA-N
SMILES C1(C2=CC=C(CBr)C=C2)=CC=CC=C1C#N
LogP 3.2
CAS DataBase Reference 114772-54-2(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi,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 .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  3439
WGK Germany  3
Hazard Note  Irritant
HazardClass  6.1
HS Code  29269090

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