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Name |
Benzenesulfonylchloride, 3,5-dichloro-4-hydroxy- |
EINECS | -0 |
CAS No. | 13432-81-0 | Density | 1.761g/cm3 |
PSA | 62.75000 | LogP | 3.70730 |
Solubility | Hydrolyzes in water. | Melting Point |
123-125°C |
Formula | C6H3Cl3O3S | Boiling Point | 352.3 °C at 760 mmHg |
Molecular Weight | 261.513 | Flash Point | 166.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39-45 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
3,5-Dichloro-4-hydroxybenzenesulfonylchloride; |
The CAS registry number of Benzenesulfonylchloride, 3,5-dichloro-4-hydroxy- is 13432-81-0. This chemical is also named as 3,5-Dichloro-4-hydroxy benzene sulphonyl chloride 98%. In addition, its molecular formula is C6H3Cl3O3S and molecular weight is 261.51. Its systematic name and IUPAC name are the same which is called 3,5-dichloro-4-hydroxybenzenesulfonyl chloride.
Physical properties about Benzenesulfonylchloride, 3,5-dichloro-4-hydroxy- are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 41.2; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 280.35; (8)ACD/KOC (pH 7.4): 5.54; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 51.58 cm3; (14)Molar Volume: 148.4 cm3; (15)Surface Tension: 59.1 dyne/cm; (16)Density: 1.761 g/cm3; (17)Flash Point: 166.8 °C; (18)Enthalpy of Vaporization: 62.06 kJ/mol; (19)Boiling Point: 352.3 °C at 760 mmHg.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. What's more, in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1O)S(Cl)(=O)=O
(2)InChI: InChI=1/C6H3Cl3O3S/c7-4-1-3(13(9,11)12)2-5(8)6(4)10/h1-2,10H
(3)InChIKey: AELFLPJWVRGXKU-UHFFFAOYAL