3'-Fluoro-4-dimethylaminoazobenzene supplier

Name
p-[(m-Fluorophenyl)azo]-N,N-dimethylaniline
EINECS
CAS No. 332-54-7
Article Data2
CAS DataBase
Density 1.09g/cm³
Solubility
Melting Point
Formula C₁₄H₁₄FN₃
Boiling Point 377.9 °C at 760 mmHg
Molecular Weight 243.31
Flash Point 182.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms m-Fluoro-p-dimethylaminoazobenzene;m-Fluorodimethylaminoazobenzene;3-Fluoro-4-dimethylaminoazobenzene;N,N-Dimethyl-p-(3-fluorophenylazo)aniline;4-(3-fluorophenyl)diazenyl-N,N-dimethyl-aniline;ANILINE, N,N-DIMETHYL-p-(3-FLUOROPHENYLAZO)-;
PSA 27.96000
LogP 4.30710

3'-Fluoro-4-dimethylaminoazobenzene Specification

The 3'-Fluoro-4-dimethylaminoazobenzene, with CAS registry number 332-54-7, has the systematic name of 4-[(E)-(3-fluorophenyl)diazenyl]-N,N-dimethylaniline. And its IUPAC name is 4-[(3-fluorophenyl)diazenyl]-N,N-dimethylaniline. Besides this, its classification codes are Reproductive Effect, Tumor data.

Physical properties of 3'-Fluoro-4-dimethylaminoazobenzene: (1)ACD/LogP: 4.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.6; (4)ACD/LogD (pH 7.4): 4.6; (5)ACD/BCF (pH 5.5): 1846.22; (6)ACD/BCF (pH 7.4): 1847.72; (7)ACD/KOC (pH 5.5): 7577.05; (8)ACD/KOC (pH 7.4): 7583.23; (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: 1.556; (14)Molar Refractivity: 71.53 cm³; (15)Molar Volume: 222.3 cm³; (16)Polarizability: 28.35×10^-24cm³; (17)Surface Tension: 35.8 dyne/cm; (18)Enthalpy of Vaporization: 62.57 kJ/mol; (19)Vapour Pressure: 6.54E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cccc(/N=N/c1ccc(N(C)C)cc1)c2
(2)InChI: InChI=1/C14H14FN3/c1-18(2)14-8-6-12(7-9-14)16-17-13-5-3-4-11(15)10-13/h3-10H,1-2H3/b17-16+
(3)InChIKey: QPSNWMWKJWYOMD-WUKNDPDIBG
(4)Std. InChI: InChI=1S/C14H14FN3/c1-18(2)14-8-6-12(7-9-14)16-17-13-5-3-4-11(15)10-13/h3-10H,1-2H3/b17-16+
(5)Std. InChIKey: QPSNWMWKJWYOMD-WUKNDPDISA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	subcutaneous	1200mg/kg (1200mg/kg)		Okajimas Folia Anatomica Japonica. Vol. 36, Pg. 195, 1960.

Product Name

p-[(m-Fluorophenyl)azo]-N,N-dimethylaniline

3'-Fluoro-4-dimethylaminoazobenzene Specification

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