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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 | 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 |
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. |