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Cas Database |
| Name |
1-Naphthalenesulfonyl chloride |
EINECS | 201-609-6 |
| CAS No. | 85-46-1 | Density | 1.414 g/cm3 |
| PSA | 42.52000 | LogP | 3.84810 |
| Solubility | insoluble in water | Melting Point |
64-67 °C(lit.) |
| Formula | C10H7ClO2S | Boiling Point | 343.1 °C at 760 mmHg |
| Molecular Weight | 226.683 | Flash Point | 161.3 °C |
| Transport Information | N/A | Appearance | white to beige crystalline powder |
| Safety | 26-36/37/39-45-27 | Risk Codes | 34 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
1-Chlorosulfonylnaphthalene;1-Naphthylsulfonyl chloride;NSC 74636;a-Naphthalenesulfochloride;a-Naphthalenesulfonyl chloride; |
Article Data | 33 |
1-Naphthalenesulfonyl chloride Synthetic route
| Conditions | Yield |
|---|---|
| With trichlorophosphate In sulfolane; acetonitrile at 68 - 72℃; for 0.666667h; | 94% |
| With phosphorus pentachloride | |
| With phosphorus pentachloride at 125℃; aus bei 180grad getrocknetem Edukt1 und Behandeln nach dem Abkuehlen mit Eis und mit Wasser; | |
| With chlorine-triphenylphosphine In acetonitrile for 15h; Ambient temperature; |
- 13922-41-3
1-Naphthylboronic acid
- 85-46-1
1-Naphthalenesulfonyl chloride
| Conditions | Yield |
|---|---|
| With phenylchlorosulfate; C43H43NO3PPdS; sodium carbonate In acetone at 60℃; for 12h; Inert atmosphere; Sealed tube; | 88% |
| Conditions | Yield |
|---|---|
| With chlorosulfonic acid In chloroform at 0 - 5℃; | 72.92% |
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride; sodium chloride 1.) pH=neutral with sodium hydrogen carbonate, water, reflux; 2.) 170-180 deg C, 3 h; | 68% |
| With thionyl chloride In diethyl ether Ambient temperature; |
| Conditions | Yield |
|---|---|
| Stage #1: 1-Bromonaphthalene With n-butyllithium In diethyl ether at -20℃; for 0.333333h; Stage #2: With sulfuryl dichloride In diethyl ether at -20 - 20℃; for 1.5h; Further stages.; | 51% |
| Conditions | Yield |
|---|---|
| With tetrachloromethane; chlorosulfonic acid at -5℃; |
| Conditions | Yield |
|---|---|
| (i) NaNO2, aq. HCl, (ii) SO2, CuCl2, KCl, benzene, dioxane; Multistep reaction; |
- 56-23-5
tetrachloromethane
- 7790-94-5
chlorosulfonic acid
- 91-20-3
naphthalene
A
- 85-47-2
1-naphthalenesulfonic acid
B
- 85-46-1
1-Naphthalenesulfonyl chloride
| Conditions | Yield |
|---|---|
| at -15 - -5℃; mit 2 Mol von Verb. 1; |
- 85-46-1
1-Naphthalenesulfonyl chloride
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride |
- 85-46-1
1-Naphthalenesulfonyl chloride
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride; phosphorus trichloride |
1-Naphthalenesulfonyl chloride Specification
The 1-Naphthalenesulfonyl chloride is an organic compound with the formula C10H7ClO2S. The systematic name of this chemical is naphthalene-1-sulfonyl chloride. With the CAS registry number 85-46-1, it is also named as α-Naphthalenesulfonyl chloride. The product's category is Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. Besides, it should be stored in a closed cool and dry place. It is used to test primary amine and secondary amine and used in organic synthesis.
Physical properties about 1-Naphthalenesulfonyl chloride are: (1)ACD/LogP: 3.22; (2)ACD/LogD (pH 5.5): 3.22; (3)ACD/LogD (pH 7.4): 3.22; (4)ACD/BCF (pH 5.5): 164.3; (5)ACD/BCF (pH 7.4): 164.3; (6)ACD/KOC (pH 5.5): 1341.39; (7)ACD/KOC (pH 7.4): 1341.39; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.52 Å2; (11)Index of Refraction: 1.643; (12)Molar Refractivity: 57.95 cm3; (13)Molar Volume: 160.2 cm3; (14)Polarizability: 22.97×10-24cm3; (15)Surface Tension: 50.5 dyne/cm; (16)Density: 1.414 g/cm3; (17)Flash Point: 161.3 °C; (18)Enthalpy of Vaporization: 56.37 kJ/mol; (19)Boiling Point: 343.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000143 mmHg at 25°C.
Preparation: this chemical can be prepared by sodium naphthalene-1-sulfonate. This reaction will need reagent PCl5.
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Uses of 1-Naphthalenesulfonyl chloride: it can be used to produce naphthalene-1-thiol at temperature of -5 - 0 °C. This reaction is a kind of Reduction. It will need reagent Zn powder, H2SO4 and solvent H2O.
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When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. Please take off immediately all contaminated clothing. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c2cccc1ccccc12
(2)InChI: InChI=1/C10H7ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
(3)InChIKey: DASJFYAPNPUBGG-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H7ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
(5)Std. InChIKey: DASJFYAPNPUBGG-UHFFFAOYSA-N
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