CAS No.52548-32-0,5-NITRO-2-(PHENYLTHIO)BENZALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52548-32-0
Name:	5-NITRO-2-(PHENYLTHIO)BENZALDEHYDE
Article Data:	3

Formula:	C₁₃H₉NO₃S
Molecular Weight:	259.2805
Synonyms:	5-Nitro-2-phenylthiobenzaldehyde;
Density:	1.36 g/cm³
Melting Point:	106-107 °C
Boiling Point:	413.2 °C at 760 mmHg
Flash Point:	203.7 °C
Hazard Symbols:	Xi
PSA:	88.19000
LogP:	4.08170

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Specification

The Benzaldehyde,5-nitro-2-(phenylthio)-, with the CAS registry number 52548-32-0, is also known as 5-Nitro-2-phenylthiobenzaldehyde. This chemical's molecular formula is C₁₃H₉NO₃S and molecular weight is 259.2805. What's more, its systematic name is called 5-Nitro-2-(phenylsulfanyl)benzaldehyde. When you are dealing with this chemical, you should be very careful. This chemical is irritating to the skin or other mucous membranes.

Physical properties about Benzaldehyde,5-nitro-2-(phenylthio)- are: (1)ACD/LogP: 4.02; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 88.19 Å²; (7)Index of Refraction: 1.666; (8)Molar Refractivity: 70.47 cm³; (9)Molar Volume: 189.3 cm³; (10)Surface Tension: 63.2 dyne/cm; (11)Density: 1.36 g/cm³; (12)Flash Point: 203.7 °C; (13)Enthalpy of Vaporization: 66.59 kJ/mol; (14)Boiling Point: 413.2 °C at 760 mmHg; (15)Vapour Pressure: 4.9E-07 mmHg at 25 °C; (16)Melting Point: 106-107 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2ccc(Sc1ccccc1)c(c2)C=O
(2) InChI: InChI=1/C13H9NO3S/c15-9-10-8-11(14(16)17)6-7-13(10)18-12-4-2-1-3-5-12/h1-9H
(3) InChIKey: XWIWOASJHKVEKI-UHFFFAOYAN