The Benzenesulfonylchloride, 4-(acetylamino)-3-chloro-, with CAS registry number 16761-18-5, has the systematic name of 4-(acetylamino)-3-chlorobenzenesulfonyl chloride. Besides this, it is also called Sulfanilylchloride, N-acetyl-3-chloro- (8CI). And the chemical formula of this chemical is C8H7Cl2NO3S.
Physical properties of Benzenesulfonylchloride, 4-(acetylamino)-3-chloro-: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.05; (6)ACD/BCF (pH 7.4): 24.05; (7)ACD/KOC (pH 5.5): 339.04; (8)ACD/KOC (pH 7.4): 339.04; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.83 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 58.25 cm3; (15)Molar Volume: 171.1 cm3; (16)Polarizability: 23.09×10-24cm3; (17)Surface Tension: 57.4 dyne/cm; (18)Density: 1.566 g/cm3; (19)Flash Point: 224.3 °C; (20)Enthalpy of Vaporization: 70.57 kJ/mol; (21)Boiling Point: 447.3 °C at 760 mmHg; (22)Vapour Pressure: 3.39E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzenesulfonylchloride, 4-(acetylamino)-3-chloro- may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. After using it, take off immediately all contaminated clothing. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1NC(=O)C)S(Cl)(=O)=O
(2)InChI: InChI=1/C8H7Cl2NO3S/c1-5(12)11-8-3-2-6(4-7(8)9)15(10,13)14/h2-4H,1H3,(H,11,12)
(3)InChIKey: ALOQYFFSHSEVJH-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H7Cl2NO3S/c1-5(12)11-8-3-2-6(4-7(8)9)15(10,13)14/h2-4H,1H3,(H,11,12)
(5)Std. InChIKey: ALOQYFFSHSEVJH-UHFFFAOYSA-N
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View