Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
6-아미노-2-나프탈렌술폰산
6-아미노-2-나프탈렌술폰산 · BROENNERS ACID · BRONNER'S ACID · BROENNER'S ACID · BRONNER ACID · Broener Acid · Bronnes'acid · Broenner acid
식별자 및 물리적 특성
| CAS No. | 52365-47-6 |
|---|---|
| 분자식 | C10H9NO3S |
| 평균 분자량 | 223.25 g/mol |
| 단동위원소 질량 | 223.03031415 g/mol |
| SMILES | Nc1ccc2cc(S(=O)(=O)O)ccc2c1 |
| InChIKey | SEMRCUIXRUXGJX-UHFFFAOYSA-N |
| PubChem CID | 7116 |
| ChEMBL | CHEMBL3187325 |
| ChEBI | CHEBI:20700 |
| EC No. | 202-208-9 |
| DTXSID | DTXSID4044743 |
| 현지명 | 6-아미노-2-나프탈렌술폰산 |
화학 및 물리적 성질
| XLogP | -0.1 |
|---|---|
| 극성 표면적 | 88.8 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 322 |
| Physical Description | Dry Powder |
| Collision Cross Section | 150.3 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID4044743] |
| 밀도 | 1.3588 (rough estimate) |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.6500 (estimate) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | -0.08±0.40(Predicted) |
| 색상 | White to Light yellow to Light orange |
| 용해도 | 0.12g/L(20℃) |
| InChI | InChI=1S/C10H9NO3S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6H,11H2,(H,12,13,14) |
| InChIKey | SEMRCUIXRUXGJX-UHFFFAOYSA-N |
| SMILES | C1=C2C(C=C(N)C=C2)=CC=C1S(O)(=O)=O |
| LogP(분배 계수) | 0.603 at 25℃ |
| EPA | 6-Amino-2-naphthalenesulfonic acid (93-00-5) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 75.3% (134 of 178) of all reports.WarningH317 (24.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 178 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | 2-Naphthalenesulfonic acid, 6-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenesulfonic acid, 6-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: 11-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17734 |
| Hazard Classes and Categories | Skin Sens. 1 (24.7%) |
| 수질 위해 등급(WGK) | WGK 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2930909899 |
| 위험 문구(R) | 36/37/38 |
| 안전 문구(S) | 26-36/37/39 |
| 기존화학 물질 | KE-01499 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
2-Aminonaphthalene-6-sulfonic acid [93- 00-5]. (6-aminonaphthalene-2-sulfonic acid), Bronner acid, C10H9NO3S, Mr 223.24, crystallizes from water as the monohydrate in plates although only 0.2 % soluble at 100℃. Sulfonation with 20 % oleum at 20℃ gives a mixture of 1,6- and 6,8-disulfonic acids.