6-히드록시-2-나프토산
6-Hydroxy-2-naphthoic acid
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기본 정보
- CAS
16712-64-4- 표준 SMILES
O=C(O)c1ccc2cc(O)ccc2c1- InChIKey
KAUQJMHLAFIZDU-UHFFFAOYSA-N- 분자식
- C11H8O3
- 평균 분자량
- 188.18 g/mol
- 단동위원소 질량
- 188.04734411
이름 및 식별자
- 우선 이름
- 6-Hydroxy-2-naphthoic acid
- IUPAC
- 6-hydroxynaphthalene-2-carboxylic acid
- 현지명
- 6-히드록시-2-나프토산
- 영어명
- 6-Hydroxy-2-naphthoic acid
- 분자식
- C11H8O3
- 분자량
- 188.18
이름 및 동의어
6-Hydroxy-2-naphthoic acid16712-64-42-Naphthalenecarboxylic acid, 6-hydroxy-6-Hydroxy-2-naphthalenecarboxylic acid6-Carboxy-2-naphthol2-Naphthoic acid, 6-hydroxy-2-Hydroxynaphthalene-6-carboxylic acid6-Hydroxy-beta-naphthoic acidNSC 148862DTXSID3029312EINECS 240-759-7NSC 689433
이름 더 보기
6-하이드록시-2-나프토산6-히드록시-2-나프토산6-하이드록시-2-나프탈렌카복실산6-하이드록시-2-나프날렌카르복시릭산2-나프토산, 6-하이드록시-2-하이드록시-6-나프토산2-하이드록시나프탈렌-6-카복실산6-카복시-2-나프톨6-하이드록시나프틸린-2-카복실산6-하이드록시-베타-나프토산6-HYDROXY-2-NAPTHOIC ACIDJACS-16712-64-4RARECHEM AL BO 0976TIMTEC-BB SBB0085946-hydroxy-2-naphthoicaci6-Hydroxy-2-phthoic acid6-HYDROXY-2-NAPHTOICACIDNaphthoic Acid Impurity 10
72XA858I6PNSC-148862NSC-6894332-Napthalenecarboxylic acid, 6-hydroxy-DTXCID609312EC 240-759-7HYDROXY-2-NAPHTHOIC ACID, 6-RefChem:543375
데이터베이스 식별자
- CAS
16712-64-4- PubChem CID
- 85557
- DTXSID
DTXSID3029312- ChEMBL
CHEMBL278950- ChEBI
CHEBI:193581- UNII
- 72XA858I6P
- EC Number
- 240-759-7
- Nikkaji
- J167.279G
물성
구조 계산 물성보충 중
- XLogP
- 2.9
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 227
실험 및 물리화학적 성질
Physical DescriptionDry Powder; CBI
물리화학적 성질
- 녹는점
- 240 · 240-250 °C (lit.)
- 끓는 점
- 283.17 °C · 283.17°C (rough estimate)
- 밀도
- 1.21 · 1.2100 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.64 · 1.6400 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- Insoluble in water
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 4.34 · 4.34±0.30(Predicted)
- 색상
- 옅은 갈색
- 수용성
- 99 mg/L · 99mg/L at 20℃
- BRN
- 2692084 · 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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 6.1% (8 of 131) of reports.
Danger
H302 (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 exposure; Respiratory 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.
유해성 정보
Regulatory Information
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 CategoriesAcute Tox. 4 (87.8%)；Eye Dam. 1 (87%)；STOT SE 3 (85.5%)；Aquatic Chronic 3 (87%)
규제 정보
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <2,500,000 lb；2022: 2,500,000 - <4,000,000 lb；2021: 1,000,000 - <2,500,000 lb；2020: 1,000,000 - <2,500,000 lb
Consumer UsesMonomers
Industry UsesMonomers
General Manufacturing Information
Plastics Material and Resin Manufacturing
2-Naphthalenecarboxylic acid, 6-hydroxy-: ACTIVE
응용 분야
용도6-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 설명6-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.
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