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3'-Fluoro-4-dimethylaminoazobenzene

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Name

3'-Fluoro-4-dimethylaminoazobenzene

EINECS N/A
CAS No. 332-54-7 Density 1.09g/cm3
PSA 27.96000 LogP 4.30710
Solubility N/A Melting Point N/A
Formula C14H14FN3 Boiling Point 377.9 °C at 760 mmHg
Molecular Weight 243.31 Flash Point 182.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 332-54-7 (p-[(m-Fluorophenyl)azo]-N,N-dimethylaniline) Hazard Symbols N/A
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)-;

Article Data 2

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.

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