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| CAS No.: | 6553-96-4 |
|---|---|
| Name: | 2,4,6-Triisopropylbenzenesulfonyl chloride |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C15H23ClO2S |
| Molecular Weight: | 302.865 |
| Synonyms: | 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride;NSC 102803;Benzenesulfonylchloride, 2,4,6-triisopropyl- (6CI,7CI,8CI);2,4,6-Triisopropylphenylsulfonyl chloride; |
| EINECS: | 229-479-6 |
| Density: | 1.096 g/cm3 |
| Melting Point: | 92-94 °C(lit.) |
| Boiling Point: | 349.3 °C at 760 mmHg |
| Flash Point: | 165.1 °C |
| Solubility: | ethanol: 50 mg/mL, clear |
| Appearance: | White to cream solid |
| Hazard Symbols: |
 C
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| Risk Codes: | 34-29 |
| Safety: | 26-36/37/39-45-27 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 42.52000 |
| LogP: | 6.06510 |
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Specification
The 2,4,6-Triisopropylbenzenesulfonyl chloride, with the cas registry number 6553-96-4, has the IUPAC name of 2,4,6-tri(propan-2-yl)benzenesulfonyl chloride. This is a kind of white solid and is sensitive to moisture. Besides, its product categories are various, including API intermediates; Biochemistry; Condensation & Active Esterification; Condensing Agents (DNA / RNA Synthesis); Nucleosides, Nucleotides & Related Reagents; Protecting Agents, Phosphorylating Agents & Condensing Agents; Sulfur Compounds (for Synthesis); Synthetic Organic Chemistry; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds.
The characteristics of this chemical are as follows: (1)ACD/LogP: 6.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 21518.37 ; (6)ACD/BCF (pH 7.4): 21518.37; (7)ACD/KOC (pH 5.5): 43955.29; (8)ACD/KOC (pH 7.4): 43955.29; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.52; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 81.98 cm3; (15)Molar Volume: 276.3 cm3; (16)Polarizability: 32.5 ×10-24 cm3; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 1.096 g/cm3; (19)Flash Point: 165.1 °C; (20)Enthalpy of Vaporization: 57.04 kJ/mol; (21)Boiling Point: 349.3 °C at 760 mmHg; (22)Vapour Pressure: 9.55E-05 mmHg at 25°C.
When you are dealing with this chemical, you should be very careful and then take some measures to protect yourself. Being a kind of corrosive chemical, it may destroy living tissue on contact. And it will causes burns, and if contact with water, it will liberates toxic gas. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Besides, take off immediately all contaminated clothing.
RIDADR
Additionally, you could convert the following datas into the molecular structure:
(10Canonical SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)Cl)C(C)C
(2)InChI: InChI=1S/C15H23ClO2S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3
(3)InChIKey: JAPYIBBSTJFDAK-UHFFFAOYSA-N