Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-Amino-1,5-naphthalenedisulfonic acid
C ACID · AMINO C ACID · 2-NAPHTHYLAMINE-4,8-DISULFONIC ACID · 3-aminonaphthalene-1,5-disulfonic acid · acidiv · kyselinac · CASSELLA ACID · JACS-131-27-1
식별자 및 물리적 특성
| CAS No. | 131-27-1 |
|---|---|
| 분자식 | C10H9NO6S2 |
| 평균 분자량 | 303.3 g/mol |
| 단동위원소 질량 | 302.98712901 g/mol |
| SMILES | Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1 |
| InChIKey | MTJGVAJYTOXFJH-UHFFFAOYSA-N |
| PubChem CID | 8563 |
| EC No. | 205-020-5 |
| DTXSID | DTXSID5059616 |
화학 및 물리적 성질
| XLogP | 0 |
|---|---|
| 극성 표면적 | 152 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 7 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 19 |
| 형식 전하 | 0 |
| 복잡도 | 531 |
| Physical Description | Dry Powder |
| 끓는 점 | 205.8°C (rough estimate) |
| 밀도 | 1.6329 (rough estimate) |
| 굴절률 | 1.7330 (estimate) |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | -1.16±0.40(Predicted) |
| InChI | InChI=1S/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17) |
| InChIKey | MTJGVAJYTOXFJH-UHFFFAOYSA-N |
| SMILES | C1(S(O)(=O)=O)=C2C(C(S(O)(=O)=O)=CC=C2)=CC(N)=C1 |
| EPA | 1,5-Naphthalenedisulfonic acid, 3-amino- (131-27-1) |
화학적 성질
2-Aminonaphthalene-4,8-disulfonic acid [131-27-1]. (3-aminonaphthalene-1,5-disulfonic acid), Cassella acid, C acid, C10H9NO6S2, Mr 303.32, and its salts are readily soluble in water. Reduction with sodium amalgam desulfonates 2-Aminonaphthalene-4,8-disulfonic acid to give 2-aminonaphthalene-8-sulfonic acid, whereas boiling with dilute sulfuric acid results in desulfonation and hydrolysis to give 2- hydroxynaphthalene-4-sulfonic acid. Alkali fusion (KOH, 215℃) produces 2-amino-4-hydroxynaphthalene-8-sulfonic acid.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 18.2% (2 of 11) of reports.WarningH319 (81.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 11 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 1,5-Naphthalenedisulfonic acid, 3-amino-1,5-Naphthalenedisulfonic acid, 3-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,5-Naphthalenedisulfonic acid, 3-amino- 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: 06-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17115 |
| Hazard Classes and Categories | Eye Irrit. 2 (81.8%) |
| TSCA 등재 상태 | TSCA listed |
| 독성 | rat,LD50,oral,11400mg/kg (11400mg/kg),"Prehled Prumyslove ToxikologieOrganicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1058, 1986. |
| 위험 문구(R) | 36/37/38 |
| 안전 문구(S) | 26-36/37/39 |
| 기존화학 물질 | KE-01492 |