CAS No.: 605-65-2 — Dansyl chloride (丹磺酰氯)

1. Primary Information

English name:	Dansyl chloride
CAS No.:	605-65-2
Molecular formula:	C₁₂H₁₂ClNO₂S
Molecular weight:	269.75 g/mol
SMILES:	CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)Cl
Structural class:
Other identifiers:	5-(dimethylamino)naphthalene-1-sulfonylchloride 5-(N,N-dimethylamino)naphthalene-1-sulfonyl chloride dansyl chloride dansyl chloride, 3H-labeled dansylchloride

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥98%	304	-20℃，充氮保存	in stock	-
Kehua Intelligence	1g	BR，98%	120	-20℃，充氮保存	in stock	-
Kehua Intelligence	5g	BR，98%	384	-20℃，充氮保存	in stock	-
Kehua Intelligence	25g	BR，98%	1248	-20℃，充氮保存	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 30 0 0 0 0 0 0 0999 V2000 -3.3566 -0.9759 1.6936 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1634 -0.1296 -0.1575 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1776 -1.2200 -1.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1319 0.9456 -0.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3355 0.1160 0.0545 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8856 0.3522 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3866 -0.2650 -0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0381 -0.4501 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 0.5377 -0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9681 1.7537 0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4689 -1.6663 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 -1.8411 -0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4386 1.9287 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6866 -2.4480 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1874 2.5356 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0425 0.4404 -1.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9557 0.3861 1.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9231 2.2710 0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3964 -2.2225 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8296 -2.4629 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3138 2.5713 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6101 -3.5313 -0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1095 3.6185 0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5853 1.3035 -1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0259 -0.4047 -1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0935 0.6815 -0.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3174 -0.5447 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2473 0.8505 2.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8076 1.0673 1.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 9 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 15 2 0 0 0 0 10 18 1 0 0 0 0 11 14 2 0 0 0 0 11 19 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

5-(dimethylamino)naphthalene-1-sulfonyl chloride

4.2 InChI

InChI=1S/C12H12ClNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)