Benzaldehyde, 3-nitro-4-[(phenylmethyl)thio]- supplier

Name
4-(BENZYLTHIO)-3-NITROBENZALDEHYDE
EINECS
CAS No. 175278-44-1
Density 1.32 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(BENZYLSULFANYL)-3-NITROBENZENECARBALDEHYDE;4-(BENZYLTHIO)-3-NITROBENZALDEHYDE
PSA 88.19000
LogP 4.22280

Benzaldehyde, 3-nitro-4-[(phenylmethyl)thio]- Specification

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

Product Name

4-(BENZYLTHIO)-3-NITROBENZALDEHYDE

Benzaldehyde, 3-nitro-4-[(phenylmethyl)thio]- Specification

Related Products

Hot Products