Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,5-나프탈렌디올
1,5-나프탈렌디올 · 1,5-디히드록시나프탈렌 · 1,5-나프탈렌다이올 · 1,5-DIHYDROXYNAPHTHALENE · Naphthalene-1,5-diol · 1,5-NAPHTHALENEDIOL · CI 76625 · c.i.76625
식별자 및 물리적 특성
| CAS No. | 83-56-7 |
|---|---|
| 분자식 | C10H8O2 |
| 평균 분자량 | 160.17 g/mol |
| 단동위원소 질량 | 160.0524295 g/mol |
| SMILES | Oc1cccc2c(O)cccc12 |
| InChIKey | BOKGTLAJQHTOKE-UHFFFAOYSA-N |
| PubChem CID | 6749 |
| ChEMBL | CHEMBL204658 |
| EC No. | 201-487-4 |
| DTXSID | DTXSID2052574 |
| 현지명 | 1,5-나프탈렌디올 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 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 | 140 |
| 물질 분류 | Other Classes -> Naphthols |
| 화장품 | Hair dyeing |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP(분배 계수) | 1.82 |
| 용해도 | Solubility in water, g/100ml at 20 °C: 0.060.6g/L |
| 인화점 | 252 °C252 °C c.c.252°C |
| Decomposition | 250 °C |
| 증기압 | 0.00000715 [mmHg]0-0Pa at 25℃ |
| Physical Description | Orange powder[ICSC]ORANGE POWDER. |
| Collision Cross Section | 131.0 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID2052574]134.35 Ų [M-H]- [CCS Type: DTMethod: stepped-field]133.2 Ų [M-H]- |
| 녹는점 | 259-261 °C (dec.) (lit.) |
| 끓는 점 | 246.06°C (rough estimate) |
| 밀도 | 1.0924 (rough estimate) |
| 굴절률 | 1.5418 (estimate) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| pKa(산도 계수) | 9.28±0.40(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 옅은 베이지부터 아주 어두운 갈색까지 |
| pH | 6 (0.5g/l, H2O, 20℃) |
| 용해도 | 물에 용해됩니다. |
| BRN | 2044951 |
| 화장품 원료 기능 | 머리 염색 |
| InChI | 1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H |
| InChIKey | BOKGTLAJQHTOKE-UHFFFAOYSA-N |
| SMILES | Oc1cccc2c(O)cccc12 |
| LogP(분배 계수) | 1.7-1.82 at 23℃ |
| NIST | 1,5-Naphthalenediol(83-56-7) |
| EPA | 1,5-Naphthalenediol (83-56-7) |
화학적 성질
Grey powder 1,5-Naphthalenediol [83-56-7], 1,5-dihydroxynaphthalene, Azurol, C10H8O2, Mr 160.16, forms colorless needles (from aqueous methyl cellosolve). The compound is sublimable, readily soluble in ether and acetone, but only sparingly soluble in water and hydrocarbons. It is oxidized to 5-hydroxy-1,4-naphthoquinone ( juglone) by CrO3. Amination gives 1,5-naphthalenediamine; coupling with diazotized anilines occurs in the 2- or 4-position.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.7% (1 of 153) of reports.WarningH302 (77.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 153 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 1,5-NaphthalenediolStatus: Active Update: 25-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/273201,5-Naphthalenediol: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - 1,5-Naphthalenediol: Human health tier II assessment |
| 화재 위험 | Combustible. |
| 유해성 요약 | A mild eye irritant[ICSC] A skin and eye irritantMay be harmful if ingested[MSDSonline] See 1-Napththol and 2-Naphthol. See 2,7-Naphthalenediol. |
| Chemical Dangers | On combustion, forms toxic fumes. Reacts with strong oxidants. |
| Hazard Classes and Categories | Acute Tox. 4 (77.8%)Acute toxicity - category 4 |
| 소화 | Use water spray, powder. |
| 응급 조치 | Fresh air, rest.Rinse and then wash skin with water and soap.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. |
| 안전 보관 | Separated from strong oxidants. |
| 누출 처리 | Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. |
| Eye Prevention | Wear safety goggles. |
| Fire Prevention | NO open flames. |
| Skin Prevention | Protective gloves. |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Inhalation Prevention | Use local exhaust or breathing protection. |
| Effects of Short Term Exposure | The substance is mildly irritating to the eyes. |
| 노출 경로 | The substance can be absorbed into the body by ingestion. |
| Signs and Symptoms | Redness. |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | QJ4740000 |
| 관세 코드 | 29072900 |
| 위험 문구(R) | 22-51/53-36-36/37/38 |
| 위험 표시 | Xn,N,Xi |
| 안전 문구(S) | 22-24/25-61-39-29-26 |
| 기존화학 물질 | 2015-3-6385 |
| F 고인화성물질 | 8-21 |
| 위험 등급 | Aquatic Chronic 2Eye Irrit. 2Skin Sens. 1B |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
1,5-Dihydroxynaphthalene is an intermediate of synthetic mordant azo dyes. It is an intermediate used in organic synthesis, pharmaceuticals, dyestuff fields and photograph industry. It is used as a coupling component in azo dyes as exemplified in the metallizable (Cr) wool dye, C.I. Mordant Black 9.