- 2-Butyl-1,2-benzisothiazolin-3-one
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Cas Database |
| Name |
2-Butyl-1,2-benzisothiazolin-3-one |
EINECS | 1312995-182-4 |
| CAS No. | 4299-07-4 | Density | 1.177 g/cm3 |
| PSA | 50.24000 | LogP | 2.86310 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H13NOS | Boiling Point | 332.921 °C at 760 mmHg |
| Molecular Weight | 207.296 | Flash Point | 155.146 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,2-Benzisothiazolin-3-one,2-butyl- (6CI,7CI,8CI);Densil DN;N-Butylbenzisothiazolin-3-one;Proxel XL 2S;Vanquish 100; |
Article Data | 23 |
2-Butyl-1,2-benzisothiazolin-3-one Specification
The cas register number of 2-Butyl-1,2-benzisothiazolin-3-one is 4299-07-4. It also can be called as 1,2-Benzisothiazol-3(2H)-one,2-butyl- and the Systematic name about this chemical is 2-butyl-1,2-benzisothiazol-3(2H)-one.
Physical properties about 2-Butyl-1,2-benzisothiazolin-3-one are: (1)ACD/LogP: 3.53; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 141; (5)ACD/BCF (pH 7.4): 141; (6)ACD/KOC (pH 5.5): 1202; (7)ACD/KOC (pH 7.4): 1202; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 45.61Å2; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 59.655 cm3; (13)Molar Volume: 176.148 cm3; (14)Polarizability: 23.649x10-24cm3; (15)Surface Tension: 45.136 dyne/cm; (16)Enthalpy of Vaporization: 57.574 kJ/mol.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c2ccccc2SN1CCCC
(2)InChI: InChI=1/C11H13NOS/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)14-12/h4-7H,2-3,8H2,1H3
(3)InChIKey: LUYIHWDYPAZCNN-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H13NOS/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)14-12/h4-7H,2-3,8H2,1H3
(5)Std. InChIKey: LUYIHWDYPAZCNN-UHFFFAOYSA-N
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