2-아미노-5-나프톨-7-술폰 산
2-아미노-5-나프톨-7-술폰산 · Diacid · 2-AMINO-5-NAPHTHOL-7-SULFONIC ACID · 7-AMINO-4-HYDROXY-2-NAPHTHALENESULFONIC ACID · 6-AMINO-1-NAPHTHOL-3-SULFONIC ACID · 6-Amino-1-naphthol-3-sulfonic Acid Hydrate · 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy- · I-ACID
식별자 및 물리적 특성
| CAS No. | 87-02-5 |
|---|---|
| 분자식 | C10H9NO4S |
| 평균 분자량 | 239.25 g/mol |
| 단동위원소 질량 | 239.02522877 g/mol |
| SMILES | Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1 |
| InChIKey | KYARBIJYVGJZLB-UHFFFAOYSA-N |
| PubChem CID | 6868 |
| ChEMBL | CHEMBL220259 |
| ChEBI | CHEBI:87316 |
| EC No. | 201-718-9 |
| DTXSID | DTXSID7026520 |
| 현지명 | 2-아미노-5-나프톨-7-술폰 산 |
화학 및 물리적 성질
| XLogP | -0.9 |
|---|---|
| 극성 표면적 | 109 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 350 |
| Physical Description | Dry Powder |
| Collision Cross Section | 153.3 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7026520] |
| 밀도 | 1.4338 (rough estimate) |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.6500 (estimate) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | 물에 약간 용해됨 |
| pKa(산도 계수) | -0.28±0.40(Predicted) |
| 물리적 상태 | 가루 |
| 색상 | 노란색 |
| 용해도 | 5g/L at 20℃ |
| InChI | InChI=1S/C10H9NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15) |
| InChIKey | KYARBIJYVGJZLB-UHFFFAOYSA-N |
| SMILES | C1=C2C(C=CC(N)=C2)=C(O)C=C1S(O)(=O)=O |
| LogP(분배 계수) | -1.39 |
| EPA | 7-Amino-4-hydroxy-2-naphthalenesulfonic acid (87-02-5) |
화학적 성질
Gray needles, white when pure. Soluble in hot water; sparingly soluble in cold water. 2-Amino-5-hydroxynaphthalene-7-sulfonic acid [87-02-5]. (7-amino-4-hydroxynaphthalene-2-sulfonic acid), J acid, C10H9NO4S, Mr 239.2, is only slightly soluble (0.1 %) in cold water but readily soluble at 100℃. The alkalimetal salts are readily soluble in water. Diazo compounds are normally coupled with J acid under alkaline conditions with reaction in the 6-position (ortho to hydroxyl); however, under acid conditions, coupling can occur in the 1- position. Reaction with bisulfite gives 4,7-dihydroxynaphthalene-2-sulfonic acid. The N-acylation, Nalkylation, and N-arylation reactions are important.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 78.3% (173 of 221) of all reports.DangerH314 (20.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 221 reports by companies from 5 notifications to the ECHA C&L Inventory.Not Classified |
|---|---|
| 규제 정보 | Chemical: 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-2-Naphthalenesulfonic acid, 7-amino-4-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy- 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: 06-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/55922-Naphthalenesulfonic acid, 7-amino-4-hydroxy-: 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. |
| Hazard Classes and Categories | Skin Corr. 1B (20.8%) |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | QK1295500 |
| 운송 번호(UN) | UN 2585 8/PG 3 |
| 독성 | LD50 oral in rat: 11500mg/kg |
| 관세 코드 | 2922190090 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-27-36/37/39 |
| 포장분류 | III |
| 위험 등급 | 8 |
| 기존화학 물질 | KE-01411 |
용도
용도
Azo dye intermediate.