2-Naphthalenesulfonic acid (HCID 8420)

概要

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.

名称と識別子

優先名称: 2-Naphthalenesulfonic acid
IUPAC: naphthalene-2-sulfonic acid
現地名: 2-ナフタレンスルホン酸水和物
英語名: Naphthalene-2-sulfonic acid
分子式: C10H8O3S
分子量: 208.23

名称と別名

Naphthalene-2-sulfonic acid120-18-32-NAPHTHALENESULFONIC ACIDbeta-Naphthylsulfonic acidbeta-Naphthalenesulfonic acidNaphthalene-2-sulphonic acidDTXSID50447882-Naphthalenesulfonic acid, monohydrateO9S4K2S25EDTXCID3024788CHEBI:44229RefChem:176039

名称をさらに表示

2-ナフタレンスルホン酸一水和物2-ナフタレンスルホン酸水和物ナフタレン-2-スルホン酸2-ナフタレンスルホン酸β-ナフタレンスルホン酸2-ナフタレンスルホン酸一水和物2-ナフタレンスルホン酸 MONOHYDRATEナフタレン-2-スルホン酸, 98%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

データベース識別子

CAS: 120-18-3
PubChem CID: 8420
DTXSID: DTXSID5044788
ChEMBL: CHEMBL1234624
ChEBI: CHEBI:44229
UNII: O9S4K2S25E
EC Number: 204-375-3
Nikkaji: J5.321J

物性

構造計算による物性

XLogP: 0.6
極性表面積: 62.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 291

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Naphthalenes

Industrial compound

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesDensity

LogP1.07

Vapor Pressure0.00000002 [mmHg]

Physical Description · 2 件

Dry Powder

Hygroscopic solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 124 °C · 124 °C
沸点: 317.43 °C · 317.43°C (rough estimate)
比重(密度): 1.44 g/cm · 1.44 g/cm
蒸気圧: 2.33 Pa · 2.33Pa at 20℃
屈折率: 1.4998 · 1.4998 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 水: 自由に溶ける(lit.)
酸解離定数(Pka): 0.27 · 0.27±0.10(Predicted)
外見: solid
色: White
水溶解度: 水に溶ける。
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 データベース: 120 · 120-18-3(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Naphthalenesulfonic acid (120-18-3)

化学的性質

化学的特性Nondeliquescent, white plates.Soluble in water, alcohol, and ether. Combustible.

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 4 件

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 · 1 件

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%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

wgk: 1
tsca: TSCA listed
rtecs: QK1225000
ridadr: UN 2583 8/PG 2
hs_code: 2904100090
risk_code: 35-34-11
hazard_code: C,F
hazard_note: Corrosive
safety_code: 26-36/37/39-45-16
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Dam. 1Met. Corr. 1Skin Corr. 1A
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

Uses · 2 件

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 · 2 件

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

2-Naphthalenesulfonic acid: ACTIVE

応用分野 · 2 件

使用Naphthalene-2-sulfonic acid is used in making direct dyes, reactive des and employed as dye and agrochemical intermediates.

一般的な説明The 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.

調製方法 · 2 件

製造方法Naphthalene-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.

純化方法Crystallise the acid from conc HCl. The S-benzylisothiuronium salt has m 192o (from aqueous EtOH). [Berger Acta Chem Scand 8 432 1954, Beilstein 11 H 171, 11 IV 527.]

上流・下流製品情報

上流原料

2-ナフタレンスルホン酸ナトリウムナフタレンスルホン酸 1-ナフタレンスルフィン酸ビス(2-ナフチル)ペルスルフィド 2-ナフタレンスルホニルクロリド 2-ナフタレンチオール 1,6-ナフタレンジスルホン酸

下流製品

1-ナフトールナフタレンスルホン酸, メチレンビス, ジナトリウム (-)-アンブロキシド 3,3'-[シクロヘキシリデンビス[(2-メチル-4,1-フェニレン)アゾ]]ビス[4,6-ジヒドロキシ-2-ナフタレンスルホン酸]二ナトリウム dispersant FDN-90 5-アミノ-2-ナフタレンスルホン酸 2-ナフタレンスルホン酸ナトリウム 3,3'-[シクロヘキシリデンビス[(2-メトキシ-4,1-フェニレン)アゾ]]ビス[4,6-ジヒドロキシ-2-ナフタレンスルホン酸]二ナトリウム L-ロイシン 2-ナフトールナフタレンスルホン酸 1,8-ジクロロナフタレン

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補足説明

定義ChEBI: 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.

2-ナフタレンスルホン酸水和物

基本情報

概要