1,5-나프탈렌디올
1,5-Dihydroxynaphthalene
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기본 정보
- CAS
83-56-7- 표준 SMILES
Oc1cccc2c(O)cccc12- InChIKey
BOKGTLAJQHTOKE-UHFFFAOYSA-N- 분자식
- C10H8O2
- 평균 분자량
- 160.17 g/mol
- 단동위원소 질량
- 160.05242949
개요
1,5-naphthalenediol has been reported in Sanicula lamelligera and Magnolia liliiflora with data available.
이름 및 식별자
- 우선 이름
- 1,5-Dihydroxynaphthalene
- IUPAC
- naphthalene-1,5-diol
- 현지명
- 1,5-나프탈렌디올
- 영어명
- 1,5-Dihydroxy naphthalene
- 분자식
- C10H8O2
- 분자량
- 160.17
이름 및 동의어
1,5-DIHYDROXYNAPHTHALENE83-56-71,5-NaphthalenediolDurafur Developer EOxidation BaseCI 76625C.I. 76625DTXSID2052574P25HC23VH6NSC-7202DTXCID9031147RefChem:73484
이름 더 보기
1,5-나프탈렌디올1,5-디히드록시나프탈렌1,5-나프탈렌다이올c.i.76625oxidationbasedurafurdevelopere
201-487-4naphthalene-1,5-diol1,5-Dihydroxy naphthalene1,5-Dihydroxynapthalene1,5-dihydroxynaphtaleneMFCD00003980napht1,5-Naphthalindiol
데이터베이스 식별자
- CAS
83-56-7- PubChem CID
- 6749
- DTXSID
DTXSID2052574- ChEMBL
CHEMBL204658- UNII
- P25HC23VH6
- EC Number
- 201-487-4
- Nikkaji
- J70.174B
물성
구조 계산 물성보충 중
- XLogP
- 1.8
- 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
CosmeticsHair dyeing
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP
1.82
2.19
SolubilitySolubility in water, g/100ml at 20 °C: 0.06
Flash Point
252 °C
252 °C c.c.
Decomposition250 °C
Vapor Pressure0.00000715 [mmHg]
Physical Description
Orange powder; [ICSC]
ORANGE POWDER.
Collision Cross Section
131.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2052574]
134.35 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
133.2 Ų [M-H]-
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 0.7% (1 of 153) of reports.
Warning
H302 (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.
Warning
유해성 정보
Regulatory Information
Chemical: 1,5-Naphthalenediol
REACH registered substance: Naphthalene-1,5-diol (EC: 201-487-4)
1,5-Naphthalenediol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,5-Naphthalenediol: Human health tier II assessment
Fire HazardsCombustible.
Hazards SummaryA mild eye irritant; [ICSC] A skin and eye irritant; May be harmful if ingested; [MSDSonline] See 1-Napththol and 2-Naphthol. See 2,7-Naphthalenediol.
Chemical DangersOn combustion, forms toxic fumes. Reacts with strong oxidants.
Hazard Classes and Categories
Acute Tox. 4 (77.8%)
Acute toxicity - category 4
안전 및 보호
Fire Fighting
화학 및 산업
용도 및 제조
UsesUsed to make dyes; [Hawley]
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information1,5-Naphthalenediol: ACTIVE
응용 분야
용도1,5-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.
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