1027160-12-8
ALPHA,ALPHA,ALPHA',ALPHA'-TETRAMETHYL-5-(DIBROMOMETHYL)-1,3-BENZENEDIACETONITRILE
NameALPHA,ALPHA,ALPHA',ALPHA'-TETRAMETHYL-5-(DIBROMOMETHYL)-1,3-BENZENEDIACETONITRILE
1Identification
【Name】
ALPHA,ALPHA,ALPHA',ALPHA'-TETRAMETHYL-5-(DIBROMOMETHYL)-1,3-BENZENEDIACETONITRILE
【CAS】
【MDL】
MFCD21363444
【English Synonyms】
【Formula】
C15 H16 Br2 N2
【MolWeight】
384.113
【Inchi】
InChI=1S/C15H16Br2N2/c1-14(2,8-18)11-5-10(13(16)17)6-12(7-11)15(3,4)9-19/h5-7,13H,1-4H3
【InChIKey】
InChIKey=AJUNARPIHUBZNV-UHFFFAOYSA-N
【SMILES】
CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)C(Br)Br
【MOL File】
ALPHA,ALPHA,ALPHA',A….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALPHA,ALPHA,ALPHA',ALPHA'-TETRAMETHYL-5-(DIBROMOMETHYL)-1,3-BENZENEDIACETONITRILE.cml