Basic information
- Standard SMILES
O=S(=O)(O)c1ccc2ccccc2c1- InChIKey
KVBGVZZKJNLNJU-UHFFFAOYSA-N- Molecular formula
- C10H8O3S
- Average molar mass
- 208.24 g/mol
- Monoisotopic mass
- 208.01941512
Overview
Naphthalene-2-sulfonic acid is a naphthalenesulfonic acid in which the sulfo group is linked to position 2 of the naphthalene ring. It has a role as a xenobiotic and an environmental contaminant.
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid
- IUPAC
- naphthalene-2-sulfonic acid
- English name
- Naphthalene-2-sulfonic acid
- Molecular formula
- C10H8O3S
- Molecular weight
- 208.23
Names & synonyms
Naphthalene-2-sulfonic acid120-18-32-NAPHTHALENESULFONIC ACIDbeta-Naphthylsulfonic acidbeta-Naphthalenesulfonic acidNaphthalene-2-sulphonic acidDTXSID50447882-Naphthalenesulfonic acid, monohydrateO9S4K2S25EDTXCID3024788CHEBI:44229RefChem:176039
Show more names
NAPTHELENE SULPHONIC ACIDDirinal NSK2-Naphthalenesulfoniβ-Naphthalenesulfonicbeta-naphthalenesulfonicbeta-naphthylsulfonicacid2-NAPHTHALENESULFONIC ACI
204-375-32-SulfonaphthaleneKyselina 2-naftalensulfonova2-Naphthylsulfonic acidMFCD00004089.beta.-Naphthalenesulfonic acid2-Naphthalene Sulfonic AcidEINECS 204-375-3
Database identifiers
- CAS
120-18-3- PubChem CID
- 8420
- DTXSID
DTXSID5044788- ChEMBL
CHEMBL1234624- ChEBI
CHEBI:44229- UNII
- O9S4K2S25E
- EC Number
- 204-375-3
- Nikkaji
- J5.321J
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 291
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Naphthalenes
Industrial compound
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesDensity
LogP1.07
Vapor Pressure0.00000002 [mmHg]
Physical Description
Dry Powder
Hygroscopic solid; [Sigma-Aldrich MSDS]
Collision Cross Section143.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5044788]
Physicochemical properties
- Melting point
- 124 °C · 124 °C
- Boiling point
- 317.43 °C · 317.43°C (rough estimate)
- Density
- 1.44 g/cm · 1.44 g/cm
- vapor pressure
- 2.33 Pa · 2.33Pa at 20℃
- refractive index
- 1.4998 · 1.4998 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- water: freely soluble(lit.)
- pka
- 0.27 · 0.27±0.10(Predicted)
- form
- solid
- color
- White
- Water Solubility
- Soluble in water.
- Sensitive
- Hygroscopic
- Merck
- 6377 · 6377
- 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)
- InChIKey
- KVBGVZZKJNLNJU-UHFFFAOYSA-N
- SMILES
- OS(=O)(=O)c1ccc2ccccc2c1
- LogP
- -0.944 at · -0.944 at 23℃
- CAS DataBase Reference
- 120 · 120-18-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 S4K2S25E · O9S4K2S25E
- EPA Substance Registry System
- 2 · 2-Naphthalenesulfonic acid (120-18-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 290 · H290-H314
- Precautionary statements
- 260 · P260-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338+P310
- Hazard Codes
- C,F
- Risk Statements
- 35 · 35-34-11
- Safety Statements
- 26 · 26-36/37/39-45-16
- RIDADR
- 2583 · UN 2583 8/PG 2
- WGK Germany
- 1 · 1
- RTECS
- 1225000 · QK1225000
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 2904100090 · 2904100090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Met · Eye Dam. 1Met. Corr. 1Skin Corr. 1A
- REACH Registrations
- Active
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.4% (1 of 255) of reports.
Danger
H302 (41.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 255 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Naphthalenesulfonic acid
2-Naphthalenesulfonic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenesulfonic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 17-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15068
2-Naphthalenesulfonic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
A severe skin irritant in guinea pigs; A severe eye irritant in rabbits (causes permanent injury); Oral LD50 (rat) = 400 mg/kg; [IUCLID] May contain up to 15% sulfuric acid (CAS# 7664-93-9) as residual of manufacture; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Targets the teeth and cardiovascular system; The International Agency for Research on Cancer (IARC) has determined that occupational exposure to strong-inorganic-acid mists containing sulfuric acid is carcinogenic to humans (group 1); [Sigma-Aldrich MSDS] See 2-Naphthalenesulfonic acid, sodium salt.
Hazard Classes and CategoriesAcute Tox. 4 (41.6%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- QK1225000
- ridadr
- UN 2583 8/PG 2
- hs_code
- 2904100090
- risk_code
- 35-34-11
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,F
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45-16
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H290-H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1Met. Corr. 1Skin Corr. 1A
- Precautionary statements
- P260-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338+P310
Chemistry & industry
Uses & manufacturing
Uses
Used to make beta-naphthol and intermediates; [Merck Index] Used as a laboratory reagent, monomer in thermoplastic manufacture, intermediate for large scale chemicals, in the processing of textiles, leather, fur, and paper-pulp-paper products, and as plastifier for concrete mixtures; [ExPub: ECHA REACH Registrations]
Pulp and Paper Processing [Category: Industry]
U.S. Production2022: 38,378 lb
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
2-Naphthalenesulfonic acid: ACTIVE
Applications
UsesNaphthalene-2-sulfonic acid is used in making direct dyes, reactive des and employed as dye and agrochemical intermediates.
UsesStarting point in the manufacture of β-naphthol, β-naphtholsulfonic acid, β-naphthylaminesulfonic acid, etc.
General DescriptionThe fluorescence of 2-naphthalenesulfonic acid (NSA) is effectively quenched by colloidal silver via photoinduced interfacial electron transfer from the excited singlet of NSA to silver. Adsorption behavior of NSA on a conventional macroporous resin Amberlite XAD4 and hypercrosslinked resins NDA101 and NDA100 has been investigated.
Preparation methods
PreparationNaphthalene-2-sulfonic acid is prepared by sulfonation of naphthalene. Step: With naphthalene as raw material, 98% sulfuric acid is used as sulfonating agent, and it is obtained by sulfonation at 160-166 ℃. During the sulfonation process, a small amount of α-naphthalenesulfonic acid by-product is generated. By heating, the unstable α-naphthalenesulfonic acid can be hydrolyzed at 140-150 °C to remove the sulfonic acid group, and become naphthalene and sulfuric acid. Naphthalene can be blown out. During the hydrolysis of naphthalene, a small amount of lye should be added to neutralize part of the sulfuric acid. It also acts with naphthalenesulfonic acid to form β-naphthalenesulfonic acid sodium salt crystals, which can be filtered to obtain the finished product of Naphthalene-2-sulfonic acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
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Additional notes
DefinitionChEBI: Naphthalene-2-sulfonic acid is a naphthalenesulfonic acid in which the sulfo group is linked to position 2 of the naphthalene ring. It has a role as an environmental contaminant and a xenobiotic.
Related reactions
37 records
Linked notes
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