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Basic Information
CAS No.: 69037-87-2
Name: 2-DIMETHYLAMINONAPHTHALENE-5-SULFONYL CHLORIDE
Molecular Structure:
Molecular Structure of 69037-87-2 (2-DIMETHYLAMINONAPHTHALENE-5-SULFONYL CHLORIDE)
Formula: C12H12ClNO2S
Molecular Weight: 269.752
Synonyms: 2-Dimethylaminonaphthalene-5-sulfonyl chloride;
Density: 1.361 g/cm3
Boiling Point: 409.3 °C at 760 mmHg
Flash Point: 201.3 °C
PSA: 45.76000
LogP: 3.91410
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Specification

The 1-Naphthalenesulfonylchloride, 6-(dimethylamino)-, with the CAS registry number 69037-87-2, is also known as 2-Dimethylaminonaphthalene-5-sulfonyl chloride. This chemical's molecular formula is C12H12ClNO2S and molecular weight is 269.7472. What's more, its systematic name is called 6-(Dimethylamino)naphthalene-1-sulfonyl chloride.

Physical properties about 1-Naphthalenesulfonylchloride, 6-(dimethylamino)- are: (1)ACD/LogP: 3.33; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 198.49; (6)ACD/BCF (pH 7.4): 198.87; (7)ACD/KOC (pH 5.5): 1534.95; (8)ACD/KOC (pH 7.4): 1537.85; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 71.09 cm3; (15)Molar Volume: 198.1 cm3; (16)Polarizability: 28.18×10-24 cm3; (17)Surface Tension: 51.8 dyne/cm; (18)Density: 1.361 g/cm3; (19)Flash Point: 201.3 °C; (20)Enthalpy of Vaporization: 66.15 kJ/mol; (21)Boiling Point: 409.3 °C at 760 mmHg; (22)Vapour Pressure: 6.57E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClS(=O)(=O)c1cccc2c1ccc(N(C)C)c2
(2) InChI: InChI=1/C12H12ClNO2S/c1-14(2)10-6-7-11-9(8-10)4-3-5-12(11)17(13,15)16/h3-8H,1-2H3
(3) InChIKey: MYVSLFDXOOWWTH-UHFFFAOYAC