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CAS No.: | 886371-33-1 |
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Name: | 3-Bromo-pyridine-4-sulfonyl chloride |
Molecular Structure: | |
Formula: | C5H3BrClNO2S |
Molecular Weight: | 256.507 |
Synonyms: | 3-Bromopyridine-4-sulfonyl chloride; |
Density: | 1.893 g/cm3 |
Boiling Point: | 328 °C at 760 mmHg |
Flash Point: | 152.1 °C |
PSA: | 55.41000 |
LogP: | 2.85240 |
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The chemical with CAS registry number of 886371-33-1 is known as 4-Pyridinesulfonylchloride, 3-bromo-. The systematic name is 3-Bromopyridine-4-sulfonyl chloride. In addition, the formula is C5H3BrClNO2S and the molecular weight is 256.50.
Physical properties about 4-Pyridinesulfonylchloride, 3-bromo- are: (1)ACD/LogP: 1.28; (2)ACD/LogD (pH 5.5): 1.28; (3)ACD/LogD (pH 7.4): 1.28; (4)ACD/BCF (pH 5.5): 5.52; (5)ACD/BCF (pH 7.4): 5.52; (6)ACD/KOC (pH 5.5): 118.25; (7)ACD/KOC (pH 7.4): 118.25; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.593; (11)Molar Refractivity: 45.92 cm3; (12)Molar Volume: 135.4 cm3; (13)Surface Tension: 54.8 dyne/cm; (14)Density: 1.893 g/cm3; (15)Flash Point: 152.1 °C; (16)Enthalpy of Vaporization: 54.77 kJ/mol; (17)Boiling Point: 328 °C at 760 mmHg; (18)Vapour Pressure: 0.000373 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: c1cncc(c1S(=O)(=O)Cl)Br
2. InChI: InChI=1/C5H3BrClNO2S/c6-4-3-8-2-1-5(4)11(7,9)10/h1-3H
3. InChIKey: ROJXVEVYKKTMKL-UHFFFAOYAY
4. Std. InChI: InChI=1S/C5H3BrClNO2S/c6-4-3-8-2-1-5(4)11(7,9)10/h1-3H
5. Std. InChIKey: ROJXVEVYKKTMKL-UHFFFAOYSA-N