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350-87-8

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Basic Information
CAS No.: 350-87-8
Name: p-((3,5-Difluorophenyl)azo)-N,N-dimethylaniline
Molecular Structure:
Molecular Structure of 350-87-8 (p-((3,5-Difluorophenyl)azo)-N,N-dimethylaniline)
Formula: C14H13F2N3
Molecular Weight: 261.274
Synonyms: Aniline,p-[(3,5-difluorophenyl)azo]-N,N-dimethyl- (6CI,7CI,8CI);Benzenamine,4-[(3,5-difluorophenyl)azo]-N,N-dimethyl- (9CI);
Density: 1.15g/cm3
Boiling Point: 381.2 °C at 760 mmHg
Flash Point: 184.3 °C
PSA: 27.96000
LogP: 4.44620
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Specification

The 3',5'-Difluoro-4-dimethylaminoazo-benzene, with CAS registry number 350-87-8, has the systematic name of 4-[(E)-(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline. And its IUPAC name is 4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline. What's more, its classification code is Tumor data.

Physical properties of 3',5'-Difluoro-4-dimethylaminoazo-benzene: (1)ACD/LogP: 4.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.81; (4)ACD/LogD (pH 7.4): 4.81; (5)ACD/BCF (pH 5.5): 2664.15; (6)ACD/BCF (pH 7.4): 2664.96; (7)ACD/KOC (pH 5.5): 9853.1; (8)ACD/KOC (pH 7.4): 9856.08; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.96 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 71.4 cm3; (15)Molar Volume: 225.2 cm3; (16)Polarizability: 28.3×10-24cm3; (17)Surface Tension: 34 dyne/cm; (18)Enthalpy of Vaporization: 62.94 kJ/mol; (19)Vapour Pressure: 5.17E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cc(/N=N/c1ccc(N(C)C)cc1)cc(F)c2
(2)InChI: InChI=1/C14H13F2N3/c1-19(2)14-5-3-12(4-6-14)17-18-13-8-10(15)7-11(16)9-13/h3-9H,1-2H3/b18-17+
(3)InChIKey: CJBNNIWJXFBNMZ-ISLYRVAYBN
(4)Std. InChI: InChI=1S/C14H13F2N3/c1-19(2)14-5-3-12(4-6-14)17-18-13-8-10(15)7-11(16)9-13/h3-9H,1-2H3/b18-17+
(5)Std. InChIKey: CJBNNIWJXFBNMZ-ISLYRVAYSA-N