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

Name
4-(4-CHLOROPHENYLTHIO)-3-NITROBENZALDEHYDE
EINECS
CAS No. 270262-96-9
Density 1.46 g/cm³
Solubility
Melting Point 118-120°C
Formula C₁₃H₈ClNO₃S
Boiling Point 446.8 °C at 760 mmHg
Molecular Weight 293.7255
Flash Point 224 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-[(4-Chlorophenyl)thio]-3-nitrobenzaldehyde;4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzaldehyde;Benzaldehyde, 4-[(4-chlorophenyl)thio]-3-nitro-;
PSA 88.19000
LogP 4.73510

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

The Benzaldehyde,4-[(4-chlorophenyl)thio]-3-nitro-, with the CAS registry number 270262-96-9, has the systematic name of 4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzaldehyde. It is a kind of irritant chemical, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₃H₈ClNO₃S.

The characteristics of Benzaldehyde,4-[(4-chlorophenyl)thio]-3-nitro- are as followings: (1)ACD/LogP: 5.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.38; (4)ACD/LogD (pH 7.4): 5.38; (5)ACD/BCF (pH 5.5): 7183.72; (6)ACD/BCF (pH 7.4): 7183.72; (7)ACD/KOC (pH 5.5): 20043.16; (8)ACD/KOC (pH 7.4): 20043.16; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 88.19 Å²; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 75.3 cm³; (15)Molar Volume: 200.3 cm³; (16)Polarizability: 29.85×10^-24cm³; (17)Surface Tension: 66.1 dyne/cm; (18)Density: 1.46 g/cm³; (19)Flash Point: 224 °C; (20)Enthalpy of Vaporization: 70.51 kJ/mol; (21)Boiling Point: 446.8 °C at 760 mmHg; (22)Vapour Pressure: 3.53E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2ccc(Sc1ccc(C=O)cc1[N+]([O-])=O)cc2
(2)InChI: InChI=1/C13H8ClNO3S/c14-10-2-4-11(5-3-10)19-13-6-1-9(8-16)7-12(13)15(17)18/h1-8H
(3)InChIKey: VWXMGEQTGZRDOQ-UHFFFAOYAX

Product Name

4-(4-CHLOROPHENYLTHIO)-3-NITROBENZALDEHYDE

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

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