Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
β-옥시나프토에산
3-하이드록시-2-나프토산 · 3-히드록시-2-나프토산 · β-옥시나프토에산 · 3-하이드록시-2-나프토익산 · 2-하이드록시-3-나프토익산 · 2-하이드록시-3-카르복시나프탈렌 · 베타-옥시나프토익산 · 베타-하이드록시나프토익산
식별자 및 물리적 특성
| CAS No. | 92-70-6 |
|---|---|
| 분자식 | C11H8O3 |
| 평균 분자량 | 188.18 g/mol |
| 단동위원소 질량 | 188.04734412 g/mol |
| SMILES | O=C(O)c1cc2ccccc2cc1O |
| InChIKey | ALKYHXVLJMQRLQ-UHFFFAOYSA-N |
| PubChem CID | 7104 |
| ChEMBL | CHEMBL229301 |
| ChEBI | CHEBI:80383 |
| EC No. | 202-180-8 |
| DTXSID | DTXSID3026560 |
| 현지명 | β-옥시나프토에산 |
화학 및 물리적 성질
| XLogP | 2.9 |
|---|---|
| 극성 표면적 | 57.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 227 |
| 물질 분류 | Other Classes -> Naphthoic Acids |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP(분배 계수) | log Kow = 3.053.4-3.59 |
| Color/Form | Very pale yellow crystalsYellow rhombic leaflets |
| 용해도 | Sol in benzene, chloroform, alkaline solnfreely soluble in alcohol and etherSOL IN TOLUENE0.1 wt% in water at 25 °CSolubility in water, g/100ml: 0.047 (very poor)0.072g/l 거의 불용성 |
| 인화점 | >150 °C c.c.>150°C |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| 녹는점 | 222-223 °CLemon to greenish yellow, odorless powder, MP: 218 °C (minimum) /Commercial product, 98% purity/220 °C218-221 °C(lit.) |
| 증기압 | 0.00000054 [mmHg]Vapor pressure, Pa at 25 °C: (negligible) |
| Physical Description | Dry PowderCBIPale yellow solid[Merck Index] Pale yellow crystalline solid[MSDSonline]YELLOW CRYSTALS. |
| Dissociation Constants | pKa = 2.79 |
| Collision Cross Section | 135.6 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID3026560] |
| 끓는 점 | 283.17°C (rough estimate) |
| 밀도 | 1.43 g/cm3 (23℃) |
| 굴절률 | 1.7160 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| pKa(산도 계수) | 3.02±0.30(Predicted) |
| 물리적 상태 | 미세 결정성 분말 |
| 색상 | 노란색에서 베이지색 갈색 |
| 생물학적 소스 | human blood |
| 용해도 | 실질적으로 불용성 |
| Merck | 14,4835 |
| BRN | 744100 |
| 헨리 상수 | 7.0×103 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | 1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14) |
| InChIKey | ALKYHXVLJMQRLQ-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cc2ccccc2cc1O |
| NIST | 2-Naphthalenecarboxylic acid, 3-hydroxy-(92-70-6) |
| EPA | 3-Hydroxy-2-naphthoic acid (92-70-6) |
화학적 성질
yellow to beige-brown fine crystalline powder. 3 -Hydroxy-2-naphthoic acid [92-70-6], BON acid, C11H8O3, Mr 188.17, mp 222℃, forms pale yellow crystals from aqueous ethanol. Alkaline solutions have a green fluorescence. Aqueous ferric chloride produces a blue color, and warming with CHCl3– NaOH results in a green color. Oxidation with alkaline permanganate gives 2-carboxyphenylglyoxylic acid and then phthalic acid. Dry distillation produces dibenzoxanthone. Bromination gives the 4,7-dibromo derivative; nitration, the 4-nitro derivative; and sulfonation with oleum, the 5,7-disulfonic acid derivative.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.5% (1 of 209) of reports.DangerH302 (99.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 209 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 2-Naphthalenecarboxylic acid, 3-hydroxy-2-Naphthalenecarboxylic acid, 3-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenecarboxylic acid, 3-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: 21-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/141753-Hydroxy-naphthalene-2-carboxylic acid: Does not have an individual approval but may be used under an appropriate group standard |
| 화재 위험 | Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 유해성 요약 | Emergency medical treatment: irritants[HSDB] Cause severe damage to eyes in animal studiesCauses skin necrosis after occlusive exposure for 24 hours to the 10-12% solutionPositive for sensitization in a guinea pig maximization test after open epicutaneous challenge. Negative results in patch testing 36 humans volunteersEvidence of liver and kidney injury in high-dose animal studies[OECD SIDS: 3-Hydroxy-2-naphthoic acid - 2004] An irritant[MSDSonline] |
| TSCA 요건 | Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 3-Hydroxy-2-naphthoic acid is included on this list.Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. |
용도
용도
3-Hydroxy-2-naphthoic acid is mainly used as intermediate for the production of dyes and pigments. Further uses are as intermediate for insecticides and pharmaceuticals (ECB, 2000).