39186-58-8

Name 4-BROMO-2,2-DIPHENYLBUTYRONITRILE
CAS 39186-58-8
EINECS(EC#) 254-337-5
Molecular Formula C16H14BrN
MDL Number MFCD00001845
Molecular Weight 300.19
MOL File 39186-58-8.mol
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Chemical Properties

Appearance white to light yellow crystalline powder
Melting point  67-69 °C(lit.)
Boiling point  160-165 °C (0.15002 mmHg)
density  1.4184 (rough estimate)
vapor pressure  0Pa at 20℃
refractive index  1.5260 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly) Ethyl Acetate (Slightly)
form  Solid
color  White
Water Solubility  10μg/L at 20℃
BRN  1684952
InChI InChI=1S/C16H14BrN/c17-12-11-16(13-18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKey IGYSFJHVFHNOEI-UHFFFAOYSA-N
SMILES C(C1C=CC=CC=1)(C1C=CC=CC=1)(C#N)CCBr
LogP 4.2
CAS DataBase Reference 39186-58-8(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Skull and Crossbones (GHS06)
GHS07,GHS06
Signal word  Warning
Hazard statements  H302+H312+H332-H315-H319-H302-H312-H331
Precautionary statements  P280h-P304+P340-P311a-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
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 .
Safety Statements 
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR  3276
WGK Germany  3
REACH Registrations Active
HazardClass  6.1
PackingGroup  III
HS Code  29269090

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