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52431-78-4

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Basic Information
CAS No.: 52431-78-4
Name: 1-(4-Hydroxyphenyl)-2H-tetrazole-5-thione
Article Data: 4
Molecular Structure:
Molecular Structure of 52431-78-4 (1-(4-Hydroxyphenyl)-2H-tetrazole-5-thione)
Formula: C7H6N4OS
Molecular Weight: 194.217
Synonyms: 1,2-dihydro-1-(4-hydroxyphenyl)-5h-tetrazole-5-thion;1-(4-HYDROXYPHENYL)-1H-TETRAZOLE-5-THIOL;1-(4-hydroxyphenyl)-2h-tetrazole-5-thione;1-(4-HYDROXYPHENYL)TETRAZOLE-5-THIOL;1-(4-HYDROXYPHENYL)-5-MERCAPTO-1H-TETRAZOLE;1-(4-HYDROXYPHENYL)-5-MERCAPTOTETRAZOLE;1,2-Dihydro-1-(p-hydroxyphenyl)-5H-tetrazole-5-thione;1-(P-HYDROXYPHENYL)-5-MERCAPTO-1H-TETRAZOLE
EINECS: 257-909-2
Density: 1.63 g/cm3
Melting Point: 170 °C (dec.)(lit.)
Boiling Point: 332.8 °C at 760 mmHg
Flash Point: 155.1 °C
Solubility: 1.63 g/cm3
Hazard Symbols: IrritantXi
Risk Codes: 332.8 °C at 760 mmHg
Safety: 155.1 °C
PSA: 102.63000
LogP: 0.65660
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Chemistry

IUPAC Name: 1-(4-Hydroxyphenyl)-2H-tetrazole-5-thione
Synonyms of 1-(4-Hydroxyphenyl)-1H-tetrazole-5-thiol (CAS NO.52431-78-4): 1-(4-Hydroxyphenyl)-2H-tetrazole-5-thione ; 1-(4-Hydroxyphenyl)-5-mercaptotetrazole ; 1,2-Dihydro-1-(p-hydroxyphenyl)-5H-tetrazole-5-thione
CAS NO: 52431-78-4
Molecular Formula: C7H6N4OS
Molecular Weight: 194.21
Molecular Structure:
EINECS: 257-909-2
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 72.52 Å2
Index of Refraction: 1.801
Molar Refractivity: 51 cm3
Molar Volume: 119.1 cm3
Surface Tension: 68.6 dyne/cm
Density: 1.63 g/cm3
Flash Point: 155.1 °C
Enthalpy of Vaporization: 59.85 kJ/mol
Boiling Point: 332.8 °C at 760 mmHg
Vapour Pressure: 7.35E-05 mmHg at 25°C
Melting Point: 170 °C (dec.)(lit.)
SMILES: S=C2/N=N\NN2c1ccc(O)cc1
InChI: InChI=1/C7H6N4OS/c12-6-3-1-5(2-4-6)11-7(13)8-9-10-11/h1-4,12H,(H,8,10,13)
InChIKey: MOXZSKYLLSPATM-UHFFFAOYAH
Std. InChI: InChI=1S/C7H6N4OS/c12-6-3-1-5(2-4-6)11-7(13)8-9-10-11/h1-4,12H,(H,8,10,13)
Std. InChIKey: MOXZSKYLLSPATM-UHFFFAOYSA-N
Product Categories of 1-(4-Hydroxyphenyl)-1H-tetrazole-5-thiol (CAS NO.52431-78-4): Building Blocks;Heterocyclic Building Blocks;Tetrazoles

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39: When1-(4-Hydroxyphenyl)-1H-tetrazole-5-thiol (CAS NO.52431-78-4) is used, please wear suitable gloves and eye/face protection.
WGK Germany: 2