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CAS No.: | 7385-52-6 |
---|---|
Name: | 3-(Hydrazinosulphonyl)benzoic acid |
Molecular Structure: | |
Formula: | C7H8N2O4S |
Molecular Weight: | 216.218 |
Synonyms: | 3-(hydrazinesulfonyl)benzoic acid; |
EINECS: | 230-963-4 |
Density: | 1.547 g/cm3 |
Boiling Point: | 486.5 °C at 760 mmHg |
Flash Point: | 248 °C |
PSA: | 117.87000 |
LogP: | 1.70880 |
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The 3-(Hydrazinosulphonyl)benzoic acid, with the CAS registry number 7385-52-6, is also known as Benzoic acid, 3-(hydrazinosulfonyl)-. In addition, its EINECS registry number is 230-963-4. This chemical's molecular formula is C7H8N2O4S and molecular weight is 216.21442. What's more, its IUPAC name is 3-(Hydrazinesulfonyl)benzoic acid.
Physical properties about 3-(Hydrazinosulphonyl)benzoic acid are: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.81; (4)ACD/LogD (pH 7.4): -3.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 75.3 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 49.11 cm3; (15)Molar Volume: 139.7 cm3; (16)Polarizability: 19.47×10-24 cm3; (17)Surface Tension: 68.3 dyne/cm; (18)Density: 1.547 g/cm3; (19)Flash Point: 248 °C; (20)Enthalpy of Vaporization: 79.23 kJ/mol; (21)Boiling Point: 486.5 °C at 760 mmHg; (22)Vapour Pressure: 2.81E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(NN)c1cc(C(=O)O)ccc1
(2) InChI: InChI=1/C7H8N2O4S/c8-9-14(12,13)6-3-1-2-5(4-6)7(10)11/h1-4,9H,8H2,(H,10,11)
(3) InChIKey: BQHAFKLOEIYFMY-UHFFFAOYAY