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4-Acetylbenzenesulfonyl chloride

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Name

4-Acetylbenzenesulfonyl chloride

EINECS N/A
CAS No. 1788-10-9 Density 1.387 g/cm3
PSA 59.59000 LogP 2.89750
Solubility Soluble in water (201.8 mg/L) 25 deg C. Melting Point 84-87 °C
Formula C8H7ClO3S Boiling Point 338.6 °C at 760mmHg
Molecular Weight 218.661 Flash Point 158.6 °C
Transport Information UN 3261 8/PG 3 Appearance brown crystalline powder
Safety 26-36/37/39-45-25-36 Risk Codes 34-36/37/38
Molecular Structure Molecular Structure of 1788-10-9 (4-Acetylbenzenesulfonyl chloride) Hazard Symbols CorrosiveC, IrritantXi
Synonyms

Benzenesulfonylchloride, p-acetyl- (6CI,7CI,8CI);4-Acetylbenzene-1-sulfonyl chloride;4-Acetylphenylsulfonyl chloride;NSC 104128;p-Acetylbenzenesulfonyl chloride;

Article Data 8

4-Acetylbenzenesulfonyl chloride Specification

The IUPAC name of this chemical is 4-acetylbenzenesulfonyl chloride. With the CAS registry number 1788-10-9, it is also named as Benzenesulfonyl chloride, 4-acetyl-. And it is brown crystalline powder which is stable under normal temperature and pressure. In addition, this material shoule be sealed in the container and the container must be placed in the cool and dry aera. And it also should be far away oxidants and fire. Besides, this product is a little dangerous to the water, so people should not release it to the environment if not permitted by the goverment. 

The other characteristics of 4-Acetylbenzenesulfonyl chloride can be summarized as: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Index of Refraction: 1.544; (7)Molar Refractivity: 49.77 cm3; (8)Molar Volume: 157.6 cm3; (9)Polarizability: 19.73×10-24 cm3; (10)Surface Tension: 43.8 dyne/cm; (11)Enthalpy of Vaporization: 58.2 kJ/mol; (12)Boiling Point: 338.6 °C at 760 mmHg; (13)Vapour Pressure: 9.72E-05 mmHg at 25°C; (14)Rotatable Bond Count: 2; (15)Tautomer Count: 2; (16)Exact Mass: 217.980442; (17)MonoIsotopic Mass: 217.980442; (18)Topological Polar Surface Area: 59.6; (19)Heavy Atom Count: 13; (20)Complexity: 283.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. And it is irritating to eyes, respiratory system and skin. 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: O=S(Cl)(=O)c1ccc(C(=O)C)cc1;
2. InChI: InChI=1/C8H7ClO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5H,1H3.

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