Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,7-나프탈렌다이올
2,7-나프탈렌다이올 · 2,7-나프탈렌다이올및그염류 · 2,7-디하이드록시나프탈렌 · Naphthalene-2,7-Diol · 2,7-NAPHTHALENEDIOL · 2,7-DON · CI 76645 · c.i.76645
식별자 및 물리적 특성
| CAS No. | 582-17-2 |
|---|---|
| 분자식 | C10H8O2 |
| 평균 분자량 | 160.17 g/mol |
| 단동위원소 질량 | 160.0524295 g/mol |
| SMILES | Oc1ccc2ccc(O)cc2c1 |
| InChIKey | DFQICHCWIIJABH-UHFFFAOYSA-N |
| PubChem CID | 11397 |
| ChEMBL | CHEMBL205165 |
| EC No. | 209-478-7 |
| DTXSID | DTXSID2060387 |
| 현지명 | 2,7-나프탈렌다이올 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 극성 표면적 | 40.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 142 |
| 물질 분류 | Other Classes -> Naphthols |
| 화장품 | Hair dyeing |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | Light grey or slightly yellow solid[EC: Opinion of the SCCP on 2,7-naphthalenediol] Grey powder[Alfa Aesar MSDS] |
| 녹는점 | 185-190 °C (lit.) |
| 끓는 점 | 246.06°C (rough estimate) |
| 밀도 | 1.0924 (rough estimate) |
| 굴절률 | 1.5418 (estimate) |
| 저장 조건 | Store below +30°C. |
| 용해도 | DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 9.14±0.40(Predicted) |
| 색상 | 회색 |
| 용해도 | 불용성 |
| BRN | 2042383 |
| 화장품 원료 기능 | 머리 염색 |
| InChI | 1S/C10H8O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H |
| InChIKey | DFQICHCWIIJABH-UHFFFAOYSA-N |
| SMILES | Oc1ccc2ccc(O)cc2c1 |
| LogP(분배 계수) | 1.980 (est) |
| NIST | 2,7-Naphthalenediol(582-17-2) |
| EPA | 2,7-Naphthalenediol (582-17-2) |
화학적 성질
Light yellow to grey needle crystal
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 1.2% (1 of 81) of reports.DangerH302 (14.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 81 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 2,7-Naphthalenediol2,7-Naphthalene diol: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - 2,7-Naphthalenediol: Human health tier II assessment |
| 유해성 요약 | Not irritating to rabbit skinHighly irritating and corrosive to rabbit eyesA moderate skin sensitizer using the mouse local lymph node assay (LLNA)Changes in hematology (reduced hemoglobin in males and higher MCV and MCH values in females), clinical chemistry (increased GGT in males and ALT in females), and histopathological changes in liver and kidney observed in 90-day oral study of ratsHematological changes and histopathology of liver and kidney reversed within four week recovery periodNo evidence of teratogenicity in ratsNot likely to have mutagenic potential in vivo[EC: SCCP] A skin and strong eye irritant[Alfa Aesar MSDS] See 1-Napththol and 2-Naphthol. |
| Hazard Classes and Categories | Acute Tox. 4 (14.8%)Eye damage - category 1 |
| 유해 작용 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | QJ4780000 |
용도
용도
2,7-Dihydroxynaphthalene can be used as starting material for the synthesis of sulfonic acids and divinylnaphthalenes.