CAS No.4272-77-9,5-(Dimethylamino)-1-naphthalenesulfonic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4272-77-9
Name:	5-(Dimethylamino)-1-naphthalenesulfonic acid
Article Data:	14

Formula:	C₁₂H₁₃NO₃S
Molecular Weight:	251.306
Synonyms:	1-(Dimethylamino)-5-naphthalenesulfonicacid;5-(Dimethylamino)-1-naphthalenesulfonic acid;Dansyl acid;N,N-Dimethyl-1-naphthylamine-5-sulfonicacid;
EINECS:	224-268-5
Density:	1.363 g/cm³
Melting Point:	316 °C
Appearance:	white to off-white or beige-greyish powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	65.99000
LogP:	3.23330

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Specification

The IUPAC name of 5-(Dimethylamino)-1-naphthalenesulfonic acid is 5-(Dimethylamino)naphthalene-1-sulfonic acid. With the CAS registry number 4272-77-9, it is also named as Dansyl acid. Besides, it is white to off-white or beige-greyish powder, which should be kept sealed below 0 °C. In addition, its molecular formula is C₁₂H₁₃NO₃S and molecular weight is 251.30.

The other characteristics of this product can be summarized as: (1)EINECS: 224-268-5; (2)ACD/LogP: 2.15; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.2; (5)ACD/LogD (pH 7.4): -1.34; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 4; (11)H bond donors: 1; (12)Freely Rotating Bonds: 2; (13)Polar Surface Area: 54.99 Å²; (14)Index of Refraction: 1.656; (15)Molar Refractivity: 67.79 cm³; (16)Molar Volume: 184.3 cm³; (17)Polarizability: 26.87×10^-24cm³; (18)Surface Tension: 58.5 dyne/cm; (19)Density: 1.363 g/cm³; (20)Melting Point: 316 °C.

Preparation of 5-(Dimethylamino)-1-naphthalenesulfonic acid: this chemical can be prepared by Sulfuric acid dimethyl ester and 5-Amino-naphthalene-1-sulfonic acid.

This reaction needs NaHCO₃ and H₂O at temperature of 80 °C. The reaction time is 30 min. The yield is 90 %.

Uses of 5-(Dimethylamino)-1-naphthalenesulfonic acid: this chemical is used in organic synthesis. Moreover, it is used for producting 5-Dimethylamino-naphthalene-1-sulfonyl chloride.

This reaction needs PCl₅. The reaction time is 2 hours. The yield is 80 %.

When you are using this chemical, please be cautious about it as the following: 5-(Dimethylamino)-1-naphthalenesulfonic acid is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=S(=O)(O)c1cccc2c1cccc2N(C)C
(2)InChI:InChI=1/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)
(3)InChIKey:BBEQQKBWUHCIOU-UHFFFAOYAD
(4)Std. InChI:InChI=1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)
(5)Std. InChIKey:BBEQQKBWUHCIOU-UHFFFAOYSA-N