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Basic Information
CAS No.: 78109-90-7
Name: 4-(3-phenyl-1H-pyrazol-1-yl)benzenesulfonic acid
Molecular Structure:
Molecular Structure of 78109-90-7 (4-(3-phenyl-1H-pyrazol-1-yl)benzenesulfonic acid)
Formula: C15H12N2O3S
Molecular Weight: 300.35
Density: 1.35g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Moderately toxic by intravenous and subcutaneous routes. When heated to decomposition it emits very toxic fumes of SOx and NOx.
PSA: 80.57000
LogP: 3.86680
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Chemistry

IUPAC Name: 4-(3-Phenylpyrazol-1-yl)benzenesulfonic acid
Synonyms of p-(3-Phenyl-1-pyrazolyl)benzene-sulfonic acid (CAS NO.78109-90-7): 1-(p-Sulfophenyl)-3-phenyl-pyrazol ; Pyrazole, 3-phenyl-1-(p-sulfophenyl)- ; p-(3-Phenyl-1-pyrazolyl)benzenesulfonic acid ; Benzenesulfonic acid, p-(3-phenyl-1-pyrazolyl)-
CAS NO: 78109-90-7
Molecular Formula: C15H12N2O3S
Molecular Weight: 300.3324
Molecular Structure :
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 69.57 Å2
Index of Refraction: 1.658
Molar Refractivity: 81.64 cm3
Molar Volume: 221.6 cm3
Surface Tension: 57.2 dyne/cm
Density: 1.35 g/cm3

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 490mg/kg (490mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 249, 1954.
mouse LD50 subcutaneous 982mg/kg (982mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 249, 1954.

Safety Profile

Moderately toxic by intravenous and subcutaneous routes. When p-(3-Phenyl-1-pyrazolyl)benzene-sulfonic acid (CAS NO.78109-90-7) is heated to decomposition, it emits very toxic fumes of SOx and NOx.