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Benzenesulfonylchloride, 4-acetyl- (1788-10-9)

Identification
Name:Benzenesulfonylchloride, 4-acetyl-
Synonyms:Benzenesulfonylchloride, p-acetyl- (6CI,7CI,8CI); 4-Acetylbenzene-1-sulfonyl chloride;4-Acetylbenzenesulfonyl chloride; 4-Acetylbenzensulfonyl chloride;4-Acetylphenylsulfonyl chloride; NSC 104128; p-Acetylbenzenesulfonyl chloride
CAS:1788-10-9
Molecular Formula: C8H7ClO3S
Molecular Weight: 218.66
InChI: InChI=1/C8H7ClO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5H,1H3
Molecular Structure: (C8H7ClO3S) Benzenesulfonylchloride, p-acetyl- (6CI,7CI,8CI); 4-Acetylbenzene-1-sulfonyl chloride;4-Acetylbenzen...
Properties
Transport:UN 3261
Flash Point: 158.6°C
Boiling Point: 338.6°Cat760mmHg
Density:1.387g/cm3
Refractive index:1.544
Appearance:brown crystalline powder
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.

HS Code: 29147000
Flash Point: 158.6°C
Safety Data
Hazard Symbols C:Corrosive