2-Naphthalenesulfonic acid
2-NAPHTHALENESULFONIC ACID · NAPTHELENE SULPHONIC ACID · NAPHTHALENE-2-SULPHONIC ACID · Dirinal NSK · 2-Sulfonaphthalene · 2-Naphthalenesulfoni · β-Naphthalenesulfonic · beta-naphthalenesulfonic
식별자 및 물리적 특성
| CAS No. | 120-18-3 |
|---|---|
| 분자식 | C10H8O3S |
| 평균 분자량 | 208.24 g/mol |
| 단동위원소 질량 | 208.01941512 g/mol |
| SMILES | O=S(=O)(O)c1ccc2ccccc2c1 |
| InChIKey | KVBGVZZKJNLNJU-UHFFFAOYSA-N |
| PubChem CID | 8420 |
| ChEMBL | CHEMBL1234624 |
| ChEBI | CHEBI:44229 |
| EC No. | 204-375-3 |
| DTXSID | DTXSID5044788 |
화학 및 물리적 성질
| XLogP | 0.6 |
|---|---|
| 극성 표면적 | 62.8 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 291 |
| 물질 분류 | Other Classes -> NaphthalenesIndustrial compound |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Density |
| LogP(분배 계수) | 1.07 |
| 증기압 | 0.00000002 [mmHg]2.33Pa at 20℃ |
| Physical Description | Dry PowderHygroscopic solid[Sigma-Aldrich MSDS] |
| Collision Cross Section | 143.8 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5044788] |
| 녹는점 | 124 °C |
| 끓는 점 | 317.43°C (rough estimate) |
| 밀도 | 1.44 g/cm |
| 굴절률 | 1.4998 (estimate) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | 물: 자유롭게 용해됨(lit.) |
| pKa(산도 계수) | 0.27±0.10(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 하얀색 |
| 용해도 | 물에 용해됩니다. |
| Merck | 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(분배 계수) | -0.944 at 23℃ |
| EPA | 2-Naphthalenesulfonic acid (120-18-3) |
화학적 성질
Nondeliquescent, white plates.Soluble in water, alcohol, and ether. Combustible.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.4% (1 of 255) of reports.DangerH302 (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. |
|---|---|
| 규제 정보 | Chemical: 2-Naphthalenesulfonic acid2-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/150682-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. |
| 유해성 요약 | A severe skin irritant in guinea pigsA 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 manufactureCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsTargets the teeth and cardiovascular systemThe 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 Categories | Acute Tox. 4 (41.6%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 |
용도
용도
Naphthalene-2-sulfonic acid is used in making direct dyes, reactive des and employed as dye and agrochemical intermediates.
일반 설명
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.
제조 및 합성 방법
제조 방법
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.