2,3-다이하이드록시나프탈렌
2,3-Dihydroxynaphthalene
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기본 정보
- CAS
92-44-4- 표준 SMILES
Oc1cc2ccccc2cc1O- InChIKey
JRNGUTKWMSBIBF-UHFFFAOYSA-N- 분자식
- C10H8O2
- 평균 분자량
- 160.17 g/mol
- 단동위원소 질량
- 160.0524295
개요
Naphthalene-2,3-diol is a naphthalenediol.
이름 및 식별자
- 우선 이름
- 2,3-Dihydroxynaphthalene
- IUPAC
- naphthalene-2,3-diol
- 현지명
- 2,3-다이하이드록시나프탈렌
- 영어명
- 2,3-Dihydroxynaphthalene
- 분자식
- C10H8O2
- 분자량
- 160.17
이름 및 동의어
2,3-DihydroxynaphthaleneNaphthalene-2,3-diol92-44-42,3-NAPHTHALENEDIOLDTXSID2043903O9U131030ZCHEBI:38135NSC-8707DTXCID0023903RefChem:81773202-156-72,3-Dihydroxynapthalene
이름 더 보기
2,3-다이하이드록시나프탈렌2,3-나프탈렌다이올2,3-디하이드록시나프탈렌2,3-Dihydroxy2,3-DIHYDROXYNAPHTHALENE, SUBL.Naphthalin-2,3-diolDihydroxynaphthaleneNaphthalenediol-(2,3)3-Dihydroxynaphthalene2,3-Dihydroxyphthalene
2,3-Dihydroxy naphthalene2,3-DihydroxynaphthleneNSC 8707MFCD00004073EINECS 202-156-73-hydroxy-2-naphtholBDBM362902,3-DIHYDROXY-NAPHTHALENE
데이터베이스 식별자
- CAS
92-44-4- PubChem CID
- 7091
- DTXSID
DTXSID2043903- ChEMBL
CHEMBL205007- ChEBI
CHEBI:38135- UNII
- O9U131030Z
- EC Number
- 202-156-7
- Nikkaji
- J30.353D
물성
구조 계산 물성보충 중
- XLogP
- 2.5
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 140
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Naphthols
Cosmetics
Cosmetic ingredients (2,3-Naphthalenediol) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.24
Vapor Pressure0.00000715 [mmHg]
Physical DescriptionWhite powder; [Alfa Aesar MSDS]
Collision Cross Section
132.44 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
131.3 Ų [M-H]-
물리화학적 성질
- 녹는점
- 161 · 161-165 °C (lit.) 162-164 °C
- 끓는 점
- 246.06 °C · 246.06°C (rough estimate)
- 밀도
- 1.0924 · 1.0924 (rough estimate)
- 증기압
- 0.8 hPa · 0.8 hPa (149 °C)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (16%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2,3-Naphthalenediol
2,3-Naphthalenediol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Chemicals with limited data availability that may be used in hair dyes overseas: Human health tier II assessment
Hazards SummaryIntravenous LD50 (mouse) = 56 mg/kg; [RTECS] An irritant that may cause serious eye injury; Harmful by ingestion; [Alfa Aesar MSDS] See 1-Napththol and 2-Naphthol. See 2,7-Naphthalenediol.
Hazard Classes and CategoriesAcute Tox. 4 (16%)
독성 정보
Toxicity Summary
The CIR Expert Panel concludes that the available data are insufficient to support the safety of 2,3-Naphthalenediol as used in cosmetics.
Ingredients for which the data are insufficient and their use in cosmetics is not supported
안전 데이터
화학 및 산업
약리 정보
Metabolism/Metabolites2,3-Dihydroxynaphthalene has known human metabolites that include 3-Methoxy-2-naphthol.
용도 및 제조
UsesCIR ingredient: 2,3-Naphthalenediol
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information2,3-Naphthalenediol: ACTIVE
응용 분야
용도2,3-Dihydroxynaphthalene is used in making dyes, pigments, fluorescent whiteners, tanning agents, antioxidants, and antiseptics.
일반 설명2,3-Dihydroxynaphthalene is a polyhydroxy phenol. It is an aromatic dihydroxy compound having hydroxyl groups at ortho positions. Its reaction with molybdenum(VI) complexes has been reported. The asymmetric oxidative coupling polymerization of 2,3-dihydroxynaphthalene using the Cu(I)-bisoxazoline complex as catalyst has been reported to afford poly(2,3-dihydroxy-1,4-naphthylene), having a continuous 1,1′-bi-2-naphthol main chain structure. The nitrodisplacement reaction between nitrophthalodinitriles and 2,3-dihydroxynaphthalene has been investigated.
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