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| CAS No.: | 35432-36-1 |
|---|---|
| Name: | Isobutanesulfonyl chloride |
| Article Data: | 15 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H9ClO2S |
| Molecular Weight: | 156.633 |
| Synonyms: | 2-Methyl-1-propanesulfonylchloride;2-Methylpropanesulfonyl chloride; |
| Density: | 1.23 g/cm3 |
| Melting Point: | 95 °C(Solv: pentane (109-66-0)) |
| Boiling Point: | 189.999 °C at 760 mmHg |
| Flash Point: | 71.724 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 42.52000 |
| LogP: | 2.29180 |
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Specification
The Isobutanesulfonyl chloride is an organic compound with the formula C4H9ClO2S. The IUPAC name of this chemical is 2-methylpropane-1-sulfonyl chloride. With the CAS registry number 35432-36-1, it is also named as 2-Methylpropanesulfonyl Chloride.
Physical properties about Isobutanesulfonyl chloride are: (1)ACD/LogP: 1.65; (2)ACD/LogD (pH 5.5): 1.65; (3)ACD/LogD (pH 7.4): 1.65; (4)ACD/BCF (pH 5.5): 10.48; (5)ACD/BCF (pH 7.4): 10.48; (6)ACD/KOC (pH 5.5): 187.04; (7)ACD/KOC (pH 7.4): 187.04; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 42.52 Å2; (11)Index of Refraction: 1.449; (12)Molar Refractivity: 34.18 cm3; (13)Molar Volume: 127.3 cm3; (14)Polarizability: 13.55×10-24cm3; (15)Surface Tension: 35.2 dyne/cm; (16)Density: 1.229 g/cm3; (17)Flash Point: 71.7 °C; (18)Enthalpy of Vaporization: 40.88 kJ/mol; (19)Boiling Point: 190 °C at 760 mmHg; (20)Vapour Pressure: 0.767 mmHg at 25°C.
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. When you are using it, wear suitable gloves and eye/face protection. 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: ClS(=O)(=O)CC(C)C
(2)InChI: InChI=1/C4H9ClO2S/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3
(3)InChIKey: NQLNHTOCFWUYQE-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C4H9ClO2S/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3
(5)Std. InChIKey: NQLNHTOCFWUYQE-UHFFFAOYSA-N