-
Name
BENZO[D]ISOXAZOL-3-YL-METHANESULFONYL CHLORIDE
- EINECS
- CAS No. 73101-65-2
- Article Data7
- CAS DataBase
- Density 1.562 g/cm3
- Solubility
- Melting Point
- Formula C8H6ClNO3S
- Boiling Point 395.7 °C at 760 mmHg
- Molecular Weight 231.66
- Flash Point 193.1 °C
- Transport Information
- Appearance tan sticky solid
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms BENZO[D]ISOXAZOL-3-YL-METHANESULFONYL CHLORIDE;1,2-BENZISOXAZOLE-3-METHANESULFONYL CHLORIDE;Benzo[d]isoxazol-3-yl-methanesulfonyl Chloride, technical grade;1,2-Benzisoxazole-3-methanesulfonic acid chloride;ZonisaMide Chloride
- PSA 68.55000
- LogP 2.97720
1,2-Benzisoxazole-3-methanesulfonylchloride Specification
This chemical is called 1,2-Benzisoxazole-3-methanesulfonylchloride, and it can also be named as Benzo[d]isoxazol-3-yl-methanesulfonyl Chloride. With the molecular formula of C8H6ClNO3S, its molecular weight is 231.66. The CAS registry number of this chemical is 73101-65-2. Additionally, its product categories are Aromatics; Sulfonyl Chlorides; Sulfur & Selenium Compounds.
Other characteristics of the 1,2-Benzisoxazole-3-methanesulfonylchloride can be summarised as followings: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.11; (6)ACD/BCF (pH 7.4): 7.11; (7)ACD/KOC (pH 5.5): 141.66; (8)ACD/KOC (pH 7.4): 141.66; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.55 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 52.87 cm3; (15)Molar Volume: 148.2 cm3; (16)Polarizability: 20.95×10-24cm3; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.562 g/cm3; (19)Flash Point: 193.1 °C; (20)Enthalpy of Vaporization: 62.07 kJ/mol; (21)Boiling Point: 395.7 °C at 760 mmHg; (22)Vapour Pressure: 4.12E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: ClS(=O)(=O)Cc2noc1ccccc12
2.InChI: InChI=1/C8H6ClNO3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2
3.InChIKey: ZREYTLWEJMYKRX-UHFFFAOYAS
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