CAS No.120-18-3,Naphthalene-2-sulfonic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	120-18-3
Name:	Naphthalene-2-sulfonic acid
Article Data:	83

Formula:	C₁₀H₈O₃S
Molecular Weight:	208.238
Synonyms:	2-Naphthylsulfonicacid;2-Sulfonaphthalene;Dirinal NSK;b-Naphthalenesulfonic acid;b-Naphthylsulfonic acid;Kyselina 2-naftalensulfonova;2-Naphthalenesulfonic acid;
EINECS:	204-375-3
Density:	1.423 g/cm³
Melting Point:	124 °C
Boiling Point:	525.7°C at 760 mmHg
Flash Point:	271.7°C
Solubility:	Soluble in water, ethanol and ethyl ether
Appearance:	off white powder
Hazard Symbols:	C,F
Risk Codes:	35-11
Safety:	26-36/37/39-45-16
Transport Information:	UN 2583 8/PG 2
PSA:	62.75000
LogP:	3.16730

Synthetic route

: 613-49-0
naphthalene-2-sulfinic acid

: 120-18-3
naphthalene-2-sulfonate

Conditions

Conditions	Yield
Stage #1: naphthalene-2-sulfinic acid With oxygen In N,N-dimethyl-formamide at 60℃; for 16h; Stage #2: Acidic conditions;	97%
With N,N,N,N,N,N-hexamethylphosphoric triamide; oxygen; potassium hydroxide In N,N-dimethyl-formamide at 60℃; under 760.051 Torr; for 28h; Reagent/catalyst; Temperature; Solvent; Pressure; Sealed tube;	93%

: 93-11-8
2-Naphthalenesulfonyl chloride

: 120-18-3
naphthalene-2-sulfonate

Conditions

Conditions	Yield
Stage #1: 2-Naphthalenesulfonyl chloride With dmap; N-ethyl-N,N-diisopropylamine In dichloromethane at 22℃; Stage #2: With trifluoroacetic acid In dichloromethane Further stages.;	94%
With water In acetone at 30℃; Kinetics; Mechanism; Thermodynamic data; other temperatures; ΔH(excit.), ΔS(excit.); various concentrations of the reagent and substrate;
Multi-step reaction with 2 steps 1: alcohol; zinc 2: water View Scheme

: 91-60-1
2-Naphthalenethiol

: 120-18-3
naphthalene-2-sulfonate

Conditions

Conditions	Yield
With dihydrogen peroxide; methyltrioxorhenium(VII) In acetonitrile at 20℃;	94%
With dihydrogen peroxide; trichlorophosphate In water at 80℃; for 1.5h; Micellar solution;	94%

: 5586-15-2
bis(2-naphthyl)disulfide

: 120-18-3
naphthalene-2-sulfonate

Conditions

Conditions	Yield
With dihydrogen peroxide; trichlorophosphate In water at 80℃; for 1.16667h; Micellar solution;	94%
Stage #1: bis(2-naphthyl)disulfide With oxygen; potassium hydroxide In N,N-dimethyl-formamide at 60℃; for 16h; Stage #2: Acidic conditions;	64%

: 91-20-3
naphthalene

A: 120-18-3
naphthalene-2-sulfonate

B: 85-47-2
1-naphthalenesulfonic acid

Conditions

Conditions	Yield
With sulfuric acid at 160 - 170℃; for 1.5h;	A 88.3% B 8.51%
With sulfuric acid at 120℃; Product distribution; Rate constant; Thermodynamic data; activation energy; microwave or irradiation; regioselectivity;
With sulfuric acid at 120℃; for 0.5h; Product distribution; microwave activation; various power, temperature, reaction time, H2SO4 concentration;

: 91-20-3
naphthalene

: 120-18-3
naphthalene-2-sulfonate

Conditions

Conditions	Yield
With 1,3-disulfonic acid imidazolonium chloride In water at 50℃; for 0.216667h; Green chemistry; regioselective reaction;	72%
With sulfur trioxide In nitrobenzene at 20℃; for 4h;	62%
With sulfuric acid at 90℃; for 2h;	55%

: 7515-55-1
1-Cyclopropyl--β-naphthylsulfonat

: 120-18-3
naphthalene-2-sulfonate

Conditions

Conditions	Yield
With ethanol at 30 - 40℃; Kinetics; other reaction partners;

: 7515-59-5
n-Heptyl-β-naphthylsulfonat

: 120-18-3
naphthalene-2-sulfonate

Conditions

Conditions	Yield
With ethanol at 30 - 40℃; Kinetics; other reaction partners;

: 7515-56-2
4-Cyclopropyl-butyl-β-naphthylsulfonat

: 120-18-3
naphthalene-2-sulfonate

Conditions

Conditions	Yield
With ethanol at 40 - 50℃; Kinetics; other reaction partners;

: 7572-48-7
cis--β-naphthylsulfonat

: 120-18-3
naphthalene-2-sulfonate

Conditions

Conditions	Yield
With ethanol at 60℃; Rate constant;

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Naphthalene-2-sulfonic acid, with the CAS registry number 120-18-3, is also known as Kyselina 2-naftalensulfonova. It belongs to the product categories of Intermediates of Dyes and Pigments; Organic Building Blocks; Sulfonic/Sulfinic Acids; Sulfur Compounds. Its EINECS number is 204-375-3. This chemical's molecular formula is C₁₀H₈O₃S and molecular weight is 208.23. What's more, its systematic name is 2-Naphthalenesulfonic acid. This chemical should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from heat, fire and oxides. It is used in the production of naphthol and intermediates.

Physical properties of Naphthalene-2-sulfonic acid are: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.86 ; (4)ACD/LogD (pH 7.4): -2.87; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.75 Å²; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 54.66 cm³; (15)Molar Volume: 146.326 cm³; (16)Polarizability: 21.669×10^-24cm³; (17)Surface Tension: 58.79 dyne/cm; (18)Density: 1.423 g/cm³.

Preparation of Naphthalene-2-sulfonic acid: this chemical can be prepared by sulfonating naphthalene at the temperature of 160-166 °C. This reaction will need naphthalene as raw material, 98% sulfuric acid as sulfonating agent.

Uses of Naphthalene-2-sulfonic acid: it can be used to produce naphthalene-2-sulfonyl fluoride at the temperature of 25 °C. It will need reagent 1,1,2,2-tetrafluoroethyl-N,N-dimethylamine and solvent CHCl₃ with the reaction time of 6 hours. The yield is about 99%.

Naphthalene-2-sulfonic acid can be used to produce naphthalene-2-sulfonyl fluoride at the temperature of 25 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It can cause severe burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c2ccc1c(cccc1)c2
(2)Std. InChI: InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)
(3)Std. InChIKey: KVBGVZZKJNLNJU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	4440mg/kg (4440mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(10), Pg. 101, 1974.