Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
6-히드록시-2-나프토산
6-하이드록시-2-나프토산 · 6-히드록시-2-나프토산 · 6-하이드록시-2-나프탈렌카복실산 · 6-하이드록시-2-나프날렌카르복시릭산 · 2-나프토산, 6-하이드록시- · 2-하이드록시-6-나프토산 · 2-하이드록시나프탈렌-6-카복실산 · 6-카복시-2-나프톨
식별자 및 물리적 특성
| CAS No. | 16712-64-4 |
|---|---|
| 분자식 | C11H8O3 |
| 평균 분자량 | 188.18 g/mol |
| 단동위원소 질량 | 188.04734411 g/mol |
| SMILES | O=C(O)c1ccc2cc(O)ccc2c1 |
| InChIKey | KAUQJMHLAFIZDU-UHFFFAOYSA-N |
| PubChem CID | 85557 |
| ChEMBL | CHEMBL278950 |
| ChEBI | CHEBI:193581 |
| EC No. | 240-759-7 |
| DTXSID | DTXSID3029312 |
| 현지명 | 6-히드록시-2-나프토산 |
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 |
| Physical Description | Dry PowderCBI |
| 녹는점 | 240-250 °C (lit.) |
| 끓는 점 | 283.17°C (rough estimate) |
| 밀도 | 1.2100 (rough estimate) |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.6400 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | Insoluble in water |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 4.34±0.30(Predicted) |
| 색상 | 옅은 갈색 |
| 용해도 | 99mg/L at 20℃ |
| BRN | 2692084 |
| InChI | 1S/C11H8O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6,12H,(H,13,14) |
| InChIKey | KAUQJMHLAFIZDU-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc2cc(O)ccc2c1 |
| LogP(분배 계수) | 2.1 |
| EPA | 6-Hydroxy-2-naphthoic acid (16712-64-4) |
화학적 성질
pale brown powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 6.1% (8 of 131) of reports.DangerH302 (87.8%): Harmful if swallowed [Warning Acute toxicity, oral]H318 (87%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (85.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (87%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P354+P338, P317, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 131 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 8 of 131 reports by companies.There are 7 notifications provided by 123 of 131 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | 2-Naphthalenecarboxylic acid, 6-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenecarboxylic acid, 6-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: 15-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10731 |
| Hazard Classes and Categories | Acute Tox. 4 (87.8%)Eye Dam. 1 (87%)STOT SE 3 (85.5%)Aquatic Chronic 3 (87%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | QN3722500 |
| 독성 | rat,LD50,oral,3080mg/kg (3080mg/kg),PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVEGASTROINTESTINAL: OTHER CHANGESLUNGS, THORAX, OR RESPIRATION: OTHER CHANGES,National Technical Information Service. Vol. OTS0534748, |
| 관세 코드 | 29181990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 37/39-26-24/25 |
| 기존화학 물질 | 2014-3-5788 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
6-hydroxy-2-naphthoic acid is used for preparation engineering plastics, organic pigments, liquid crystal materials, medicine, particularly as a monomer of heat-resistant material.
일반 설명
6-Hydroxy-2-naphthoic acid is a hydroxynaphthoic acid derivative. Whole cells of the recombinant Escherichia coli strain expressing CYP199A2 were reported to catalyze the regioselective oxidation of 6-hydroxy-2-naphthoic acid to afford 6,7-dihydroxynaphthoic acid. It can form co-crystals with caffeine.