3-Chloro-4-methylsulfonylaniline supplier

Name
3-Chloro-4-methylsulfonylaniline
EINECS
CAS No. 23153-12-0
Article Data1
CAS DataBase
Density 1.414g/cm³
Solubility
Melting Point 170-171°C
Formula C₇H₈ClNO₂S
Boiling Point 423.015 °C at 760 mmHg
Molecular Weight 205.665
Flash Point 209.632 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Chloro-4-(methylsulfonyl)aniline;Aniline,3-chloro-4-(methylsulfonyl)- (8CI);
PSA 68.54000
LogP 2.98770

3-Chloro-4-methylsulfonylaniline Specification

The 3-Chloro-4-methylsulfonylaniline, with CAS registry number 23153-12-0, belongs to the following product categories: (1)Amines and Anilines; (2)Boron, Nitrile, Thio,& TM-Cpds; (3)API intermediates. It has the systematic name of 3-chloro-4-(methylsulfonyl)aniline. And the chemical formula of this chemical is C₇H₈ClNO₂S.

Physical properties of 3-Chloro-4-methylsulfonylaniline: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 64; (8)ACD/KOC (pH 7.4): 64; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.54 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 48.642 cm³; (15)Molar Volume: 145.442 cm³; (16)Polarizability: 19.283×10^-24cm³; (17)Surface Tension: 50.864 dyne/cm; (18)Density: 1.414 g/cm³; (19)Flash Point: 209.632 °C; (20)Enthalpy of Vaporization: 67.728 kJ/mol; (21)Boiling Point: 423.015 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1Cl)N)C
(2)InChI: InChI=1/C7H8ClNO2S/c1-12(10,11)7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
(3)InChIKey: VBEZMRJLMPYKBT-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H8ClNO2S/c1-12(10,11)7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
(5)Std. InChIKey: VBEZMRJLMPYKBT-UHFFFAOYSA-N

Product Name

3-Chloro-4-methylsulfonylaniline

3-Chloro-4-methylsulfonylaniline Specification

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