Molecule structure of N,N-Dimethyl-p-(3,4-difluorophenylazo)aniline (CAS NO.351-65-5):
IUPAC Name: 4-(3,4-Difluorophenyl)diazenyl-N,N-dimethylaniline
Molecular Weight: 261.269926 g/mol
Molecular Formula: C14H13F2N3
Density: 1.15 g/cm3
Boiling Point: 381.2 °C at 760 mmHg
Flash Point: 184.3 °C
Index of Refraction: 1.546
Molar Refractivity: 71.4 cm3
Molar Volume: 225.2 cm3
Polarizability: 28.3×10-24 cm3
Surface Tension: 34 dyne/cm
Enthalpy of Vaporization: 62.94 kJ/mol
Vapour Pressure: 5.17E-06 mmHg at 25 °C
XLogP3-AA: 4
H-Bond Acceptor: 5
Rotatable Bond Count: 3
Exact Mass: 261.107754
MonoIsotopic Mass: 261.107754
Topological Polar Surface Area: 28
Heavy Atom Count: 19
Complexity: 301
Canonical SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)F)F
InChI: InChI=1S/C14H13F2N3/c1-19(2)12-6-3-10(4-7-12)17-18-11-5-8-13(15)14(16)9-11/h3-9H,1-2H3
InChIKey of N,N-Dimethyl-p-(3,4-difluorophenylazo)aniline (CAS NO.351-65-5): KNSMUCVNITYESQ-UHFFFAOYSA-N
Questionable carcinogen with experimental carcinogenic and neoplastigenic data. When heated to decomposition it emits very toxic fumes of F− and NOx.
N,N-Dimethyl-p-(3,4-difluorophenylazo)aniline (CAS NO.351-65-5) is also named as 3',4'-Difluoro-4-dimethylaminoazobenzene ; 4-16-00-00450 (Beilstein Handbook Reference) ; BRN 3349962 ; Benzenamine, N,N-dimethyl-3',4'-difluoro-4-(phenylazo)- ; Aniline, N,N-dimethyl-p-(3,4-difluorophenylazo)- .
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