Benzaldehyde,2-[(4-chlorophenyl)thio]- supplier

Name
2-(4-CHLOROPHENYLTHIO)BENZALDEHYDE
EINECS -0
CAS No. 107572-07-6
Article Data5
CAS DataBase
Density 1.31 g/cm³
Solubility
Melting Point 71-74 °C
Formula C₁₃H₉ClOS
Boiling Point 370.3 °C at 760 mmHg
Molecular Weight 248.733
Flash Point 177.8 °C
Transport Information
Appearance White Powder
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols
Synonyms 2-(4-Chlorophenylsulfanyl)benzaldehyde;2-(4-Chlorophenylthio)benzaldehyde;
PSA 42.37000
LogP 4.30370

Benzaldehyde,2-[(4-chlorophenyl)thio]- Specification

This chemical is called Benzaldehyde,2-[(4-chlorophenyl)thio]-, and its systematic name is 2-[(4-Chlorophenyl)sulfanyl]benzaldehyde. With the molecular formula of C₁₃H₉ClOS, its molecular weight is 248.73. The CAS registry number of the chemical is 107572-07-6. In addition, this chemical should be sealed in the cool and dry place, away from oxidizers, air.

Other characteristics of Benzaldehyde,2-[(4-chlorophenyl)thio]- can be summarised as followings: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.91; (4)ACD/LogD (pH 7.4): 4.91; (5)ACD/BCF (pH 5.5): 3155.91; (6)ACD/BCF (pH 7.4): 3155.91; (7)ACD/KOC (pH 5.5): 11124.18; (8)ACD/KOC (pH 7.4): 11124.18; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.37 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 69.27 cm³; (15)Molar Volume: 188.7 cm³; (16)Polarizability: 27.46×10^-24cm³; (17)Surface Tension: 55 dyne/cm; (18)Density: 1.31 g/cm³; (19)Flash Point: 177.8 °C; (20)Enthalpy of Vaporization: 61.72 kJ/mol; (21)Boiling Point: 370.3 °C at 760 mmHg; (22)Vapour Pressure: 1.12E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2ccc(Sc1ccccc1C=O)cc2
2.InChI: InChI=1/C13H9ClOS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H
3.InChIKey: CQKLAEUCMKGSEQ-UHFFFAOYAK
4.Std. InChI: InChI=1S/C13H9ClOS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H
5.Std. InChIKey: CQKLAEUCMKGSEQ-UHFFFAOYSA-N

Product Name

2-(4-CHLOROPHENYLTHIO)BENZALDEHYDE

Benzaldehyde,2-[(4-chlorophenyl)thio]- Specification

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