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| CAS No.: | 65001-21-0 |
|---|---|
| Name: | 5-BROMOPYRIDINE-3-SULFONYL CHLORIDE |
| Article Data: | 11 |
| Cas Database | |
| Molecular Structure: | |
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|
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| Formula: | C5H3BrClNO2S |
| Molecular Weight: | 256.507 |
| Synonyms: | 5-Bromo-3-pyridinesulfonylchloride; |
| Density: | 1.893 g/cm3 |
| Melting Point: | 60-63 °C |
| Boiling Point: | 329.171 °C at 760 mmHg |
| Flash Point: | 152.877 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 14-20/21/22-29-34 |
| Safety: | 8-22-26-30-36/37/39-45 |
| PSA: | 55.41000 |
| LogP: | 2.85240 |
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Specification
The IUPAC name of 5-Bromopyridine-3-sulphonyl chloride is 5-bromopyridine-3-sulfonyl chloride. With the CAS registry number 65001-21-0, it is also named as 3-Pyridinesulfonylchloride, 5-bromo-. The product's categories are Pyridines; Sulphonyl Chlorides; Sulphonyl Chlorides. In addition, its molecular formula is C5H3BrClNO2S and its molecular weight is 256.50.
The other characteristics of 5-Bromopyridine-3-sulphonyl chloride can be summarized as: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.27; (5)ACD/BCF (pH 5.5): 5.432; (6)ACD/BCF (pH 7.4): 5.432; (7)ACD/KOC (pH 5.5): 116.867; (8)ACD/KOC (pH 7.4): 116.867; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.41 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 45.921 cm3; (15)Molar Volume: 135.497 cm3; (16)Polarizability: 18.204×10-24cm3; (17)Surface Tension: 54.882 dyne/cm; (18)Density: 1.893 g/cm3; (19)Flash Point: 152.877 °C; (20)Melting Point: 60-63 °C; (21)Enthalpy of Vaporization: 54.893 kJ/mol; (22)Boiling Point: 329.171 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it reacts violently with water and liberates toxic gas in contact with water. Please keep container dry and never add water to this product. It also may cause burns. Moreover, it is harmful by inhalation, in contact with skin and if swallowed. Please do not breathe dust. And in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, you should wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES: c1c(cncc1Br)S(=O)(=O)Cl
(2)InChI: InChI=1/C5H3BrClNO2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H
(3)InChIKey: AVILRJQPDYPXFQ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C5H3BrClNO2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H
(5)Std. InChIKey: AVILRJQPDYPXFQ-UHFFFAOYSA-N