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Cas Database |
| Name |
5-Bromo-2-methoxybenzenesulfonyl chloride |
EINECS | N/A |
| CAS No. | 23095-05-8 | Density | 1.717 g/cm3 |
| PSA | 51.75000 | LogP | 3.46600 |
| Solubility | N/A | Melting Point |
115-118 °C(lit.) |
| Formula | C7H6BrClO3S | Boiling Point | 362.251 °C at 760 mmHg |
| Molecular Weight | 285.546 | Flash Point | 172.883 °C |
| Transport Information | UN 3261 | Appearance | white crystalline powder |
| Safety | 26-36/37/39-45 | Risk Codes | 34 |
| Molecular Structure |
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Hazard Symbols |
 C
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| Synonyms |
2-Methoxy-5-bromobenzenesulfonylchloride;5-Bromo-2-methoxybenzenesulfonyl chloride; |
Article Data | 9 |
5-Bromo-2-methoxybenzenesulfonyl chloride Specification
With the CAS registry number 23095-05-8, the systematic name of Benzenesulfonylchloride, 5-bromo-2-methoxy- is 5-bromo-2-methoxybenzenesulfonyl chloride. The product's categories are Blocks; Bromides; Building Blocks; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. It is white crystalline powder which is sensitive to moisture.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.30 ; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 3.3; (5)ACD/BCF (pH 5.5): 190.78; (6)ACD/BCF (pH 7.4): 190.78; (7)ACD/KOC (pH 5.5): 1492.81; (8)ACD/KOC (pH 7.4): 1492.81; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.569; (13)Molar Refractivity: 54.48 cm3; (14)Molar Volume: 166.2 cm3; (15)Polarizability: 21.6×10-24 cm3; (16)Surface Tension: 45.5 dyne/cm; (17)Enthalpy of Vaporization: 58.42 kJ/mol; (18)Vapour Pressure: 4.08E-05 mmHg at 25°C.
Uses of Benzenesulfonylchloride, 5-bromo-2-methoxy-: It can react with 4-chloro-5-isopropyl-thiazol-2-ylamine; hydrochloride to get 5-bromo-N-(4-chloro-5-isopropyl-3H-thiazol-2-ylidene)-2-methoxy-benzenesulfonamide. This reaction needs reagent pyridine at temperature of 20 °C. The reaction time is 12 hours. The yield is 59%.
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When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must 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:Brc1cc(c(OC)cc1)S(Cl)(=O)=O
2. InChI:InChI=1/C7H6BrClO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3
3. InChIKey:IXSBNNRUQYYMRM-UHFFFAOYAB
4. Std. InChI:InChI=1S/C7H6BrClO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3
5. Std. InChIKey:IXSBNNRUQYYMRM-UHFFFAOYSA-N
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