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145061-31-0

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Basic Information
CAS No.: 145061-31-0
Name: 1-Naphthalenesulfonylchloride,5-amino-(9CI)
Molecular Structure:
Molecular Structure of 145061-31-0 (1-Naphthalenesulfonylchloride,5-amino-(9CI))
Formula: C10H8ClNO2S
Molecular Weight: 241.694
Synonyms: 5-aminonaphthalene-1-sulfonyl chloride;1-Naphthalenesulfonyl chloride, 5-amino-;5-Aminonaphthalene-1-sulfonyl chloride;
Density: 1.487 g/cm3
Melting Point: 94-95 °C
Boiling Point: 413 °C at 760 mmHg
Flash Point: 203.6 °C
PSA: 68.54000
LogP: 4.01150
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Specification

The 1-Naphthalenesulfonylchloride, 5-amino-, with the CAS registry number 145061-31-0, has the systematic name of 5-aminonaphthalene-1-sulfonyl chloride. It belongs to the product category of sulfonylhalide. And the molecular formula of this chemical is C10H8ClNO2S.

The physical properties of 1-Naphthalenesulfonylchloride, 5-amino- are as following: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.42; (6)ACD/BCF (pH 7.4): 17.43; (7)ACD/KOC (pH 5.5): 269.03; (8)ACD/KOC (pH 7.4): 269.23; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 61.57 cm3; (15)Molar Volume: 162.4 cm3; (16)Polarizability: 24.41×10-24cm3; (17)Surface Tension: 61.5 dyne/cm; (18)Density: 1.487 g/cm3; (19)Flash Point: 203.6 °C; (20)Enthalpy of Vaporization: 66.57 kJ/mol; (21)Boiling Point: 413 °C at 760 mmHg; (22)Vapour Pressure: 4.97E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c1cccc2c1cccc2N
(2)InChI: InChI=1/C10H8ClNO2S/c11-15(13,14)10-6-2-3-7-8(10)4-1-5-9(7)12/h1-6H,12H2
(3)InChIKey: HNBHMACNYOOUKK-UHFFFAOYAG