4-{(E)-[(2-Hydroxyethyl)sulfanyl]diazenyl}benzoate supplier

Name
4-((E)-2-[(2-HYDROXYETHYL)SULFANYL]DIAZENYL)BENZENECARBOXYLIC ACID
EINECS
CAS No. 331837-01-5
Density
Solubility
Melting Point
Formula C₉H₉N₂O₃S^-
Boiling Point 436.9 °C at 760 mmHg
Molecular Weight 225.24
Flash Point 218 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(2-Hydroxyethylsulfanyldiazenyl)benzoate;
PSA 107.55000
LogP 2.10900

4-{(E)-[(2-Hydroxyethyl)sulfanyl]diazenyl}benzoate Specification

The 4-{(E)-[(2-Hydroxyethyl)sulfanyl]diazenyl}benzoate, with the CAS registry number 331837-01-5, is also known as p-Methoxyphenyl methyl carbinol. This chemical's molecular formula is C₉H₉N₂O₃S^- and molecular weight is 225.24. What's more, its IUPAC name is 4-(2-hydroxyethylsulfanyldiazenyl)benzoate.

Physical properties of 4-{(E)-[(2-Hydroxyethyl)sulfanyl]diazenyl}benzoate are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 96.55 Å²; (7)Flash Point: 218 °C; (8)Enthalpy of Vaporization: 73.09 kJ/mol; (9)Boiling Point: 436.9 °C at 760 mmHg; (10)Vapour Pressure: 2.09E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=O)[O-])N=NSCCO
(2)InChI: InChI=1S/C9H10N2O3S/c12-5-6-15-11-10-8-3-1-7(2-4-8)9(13)14/h1-4,12H,5-6H2,(H,13,14)/p-1
(3)InChIKey: XQYXSDKECFGYPC-UHFFFAOYSA-M

Product Name

4-((E)-2-[(2-HYDROXYETHYL)SULFANYL]DIAZENYL)BENZENECARBOXYLIC ACID

4-{(E)-[(2-Hydroxyethyl)sulfanyl]diazenyl}benzoate Specification

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