CAS No.65001-21-0,5-BROMOPYRIDINE-3-SULFONYL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	65001-21-0
Name:	5-BROMOPYRIDINE-3-SULFONYL CHLORIDE
Article Data:	11

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