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331837-01-5

Basic Information
CAS No.: 331837-01-5
Name: 4-{(E)-[(2-Hydroxyethyl)sulfanyl]diazenyl}benzoate
Molecular Structure:
Molecular Structure of 331837-01-5 (4-{(E)-[(2-Hydroxyethyl)sulfanyl]diazenyl}benzoate)
Formula: C9H9N2O3S-
Molecular Weight: 225.24
Synonyms: 4-(2-Hydroxyethylsulfanyldiazenyl)benzoate;
EINECS:
Density:
Melting Point:
Boiling Point: 436.9 °C at 760 mmHg
Flash Point: 218 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 107.55000
LogP: 2.10900
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    4-((E)-2-[(2-HYDROXYETHYL)SULFANYL]DIAZENYL)BENZENECARBOXYLIC ACIDAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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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