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| CAS No.: | 63279-36-7 |
|---|---|
| Name: | 4-bromo-1-naphthalenesulfonyl chloride |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C10H6BrClO2S |
| Molecular Weight: | 305.579 |
| Synonyms: | 4-Bromo-1-naphthalenesulfonylchloride;4-Bromonaphthalenesulfonyl chloride; |
| Density: | 1.732g/cm3 |
| Melting Point: | 82-84 °C(Solv: chloroform (67-66-3)) |
| Boiling Point: | 372.6 °C at 760 mmHg |
| Flash Point: | 179.1 °C |
| PSA: | 42.52000 |
| LogP: | 4.61060 |
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- Total:28 Page 1 of 1 1
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Specification
The 4-Bromo-1-naphthalenesulfonyl chloride with cas registry number of 63279-36-7, has the systematic name of 4-bromonaphthalene-1-sulfonyl chloride. And it is also named 1-Naphthalenesulfonyl chloride, 4-bromo-.
Physical properties about this chemical are: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 1002.89; (6)ACD/BCF (pH 7.4): 1002.89; (7)ACD/KOC (pH 5.5): 4896.63; (8)ACD/KOC (pH 7.4): 4896.63; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 65.67 cm3; (15)Molar Volume: 176.3 cm3; (16)Polarizability: 26.03×10-24cm3; (17)Surface Tension: 53.9 dyne/cm; (18)Enthalpy of Vaporization: 59.54 kJ/mol; (19)Vapour Pressure: 2.04E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c2c1ccccc1c(Br)cc2;
(2)InChI: InChI=1/C10H6BrClO2S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H;
(3)InChIKey: MNBFYZPSEJKTFA-UHFFFAOYAX;
(4)Std. InChI: InChI=1S/C10H6BrClO2S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H;
(5)Std. InChIKey: MNBFYZPSEJKTFA-UHFFFAOYSA-N