Benzaldehyde, 4-[(2-furanylmethyl)thio]-3-nitro- supplier

Name
4-[(2-FURYLMETHYL)THIO]-3-NITROBENZALDEHYDE
EINECS
CAS No. 175278-53-2
Density 1.4 g/cm³
Solubility
Melting Point 153-154°C
Formula C₁₂H₉NO₄S
Boiling Point 413.4 °C at 760 mmHg
Molecular Weight 263.27
Flash Point 203.8 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-[(2-FURYLMETHYL)SULFANYL]-3-NITROBENZENECARBALDEHYDE;4-[(2-FURYLMETHYL)THIO]-3-NITROBENZALDEHYDE;4-[(Fur-2-ylmethyl)thio]-3-nitrobenzaldehyde
PSA 101.33000
LogP 3.81580

Benzaldehyde, 4-[(2-furanylmethyl)thio]-3-nitro- Specification

This chemical is called Benzaldehyde, 4-[(2-furanylmethyl)thio]-3-nitro-, and its systematic name is 4-[(furan-2-ylmethyl)sulfanyl]-3-nitrobenzaldehyde. With the molecular formula of C₁₂H₉NO₄S, its molecular weight is 263.27. The CAS registry number of this chemical is 175278-53-2.

Other characteristics of the Benzaldehyde, 4-[(2-furanylmethyl)thio]-3-nitro- can be summarised as followings: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 101.33 Å²; (7)Index of Refraction: 1.638; (8)Molar Refractivity: 67.59 cm³; (9)Molar Volume: 187.9 cm³; (10)Polarizability: 26.79×10^-24cm³; (11)Surface Tension: 62.9 dyne/cm; (12)Density: 1.4 g/cm³; (13)Flash Point: 203.8 °C; (14)Enthalpy of Vaporization: 66.61 kJ/mol; (15)Boiling Point: 413.4 °C at 760 mmHg; (16)Vapour Pressure: 4.83E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c2c(SCc1occc1)ccc(C=O)c2
2.InChI: InChI=1/C12H9NO4S/c14-7-9-3-4-12(11(6-9)13(15)16)18-8-10-2-1-5-17-10/h1-7H,8H2
3.InChIKey: XJZUTZDAIMVSAR-UHFFFAOYAZ

Product Name

4-[(2-FURYLMETHYL)THIO]-3-NITROBENZALDEHYDE

Benzaldehyde, 4-[(2-furanylmethyl)thio]-3-nitro- Specification

Related Products

Hot Products