Basic Information | Post buying leads | Suppliers |
Name |
1-Naphthalenesulfonylchloride, 6-(dimethylamino)- |
EINECS | N/A |
CAS No. | 69037-87-2 | Density | 1.361 g/cm3 |
PSA | 45.76000 | LogP | 3.91410 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H12ClNO2S | Boiling Point | 409.3 °C at 760 mmHg |
Molecular Weight | 269.752 | Flash Point | 201.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Dimethylaminonaphthalene-5-sulfonyl chloride; |
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