Basic Information | Post buying leads | Suppliers |
Name |
Benzaldehyde, 3-nitro-4-[(phenylmethyl)thio]- |
EINECS | N/A |
CAS No. | 175278-44-1 | Density | 1.32 g/cm3 |
PSA | 88.19000 | LogP | 4.22280 |
Solubility | N/A | Melting Point |
170-172 °C |
Formula | C14H11NO3S | Boiling Point | 432.9 °C at 760 mmHg |
Molecular Weight | 273.31 | Flash Point | 215.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-(BENZYLSULFANYL)-3-NITROBENZENECARBALDEHYDE;4-(BENZYLTHIO)-3-NITROBENZALDEHYDE |
This chemical is called Benzaldehyde, 3-nitro-4-[(phenylmethyl)thio]-, and its systematic name is 4-(benzylsulfanyl)-3-nitrobenzaldehyde. With the molecular formula of C14H11NO3S, its molecular weight is 273.31. Additionally, its CAS registry number is 175278-44-1.
Other characteristics of the Benzaldehyde, 3-nitro-4-[(phenylmethyl)thio]- can be summarised as followings: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 88.19 Å2; (7)Index of Refraction: 1.651; (8)Molar Refractivity: 75.1 cm3; (9)Molar Volume: 205.6 cm3; (10)Polarizability: 29.77×10-24cm3; (11)Surface Tension: 60.7 dyne/cm; (12)Density: 1.32 g/cm3; (13)Flash Point: 215.6 °C; (14)Enthalpy of Vaporization: 68.87 kJ/mol; (15)Boiling Point: 432.9 °C at 760 mmHg; (16)Vapour Pressure: 1.07E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c2cc(ccc2SCc1ccccc1)C=O
2.InChI: InChI=1/C14H11NO3S/c16-9-12-6-7-14(13(8-12)15(17)18)19-10-11-4-2-1-3-5-11/h1-9H,10H2
3.InChIKey: UIXPQYSMFXQEMB-UHFFFAOYAM