기본 정보
- 표준 SMILES
Oc1ccc2ccc(O)cc2c1- InChIKey
DFQICHCWIIJABH-UHFFFAOYSA-N- 분자식
- C10H8O2
- 평균 분자량
- 160.17 g/mol
- 단동위원소 질량
- 160.0524295
개요
2,7-naphthalenediol has been reported in Magnolia liliiflora with data available.
이름 및 식별자
- 우선 이름
- 2,7-Naphthalenediol
- IUPAC
- naphthalene-2,7-diol
- 현지명
- 2,7-나프탈렌다이올
- 영어명
- 2,7-Dihydroxynaphthalene
- 분자식
- C10H8O2
- 분자량
- 160.17
이름 및 동의어
2,7-DIHYDROXYNAPHTHALENE2,7-Naphthalenediol582-17-2Naphthalenediol-2,7CI 76645C.I. 766452,7-naphthalene diol0TO8E448UDDTXSID2060387NSC-407541CI-76645C.I.-76645
이름 더 보기
2,7-나프탈렌다이올2,7-나프탈렌다이올및그염류2,7-디하이드록시나프탈렌2,7-DONc.i.766452,7-Dihydroxy2,7-Naphthelendiol2,7-Naphtalenediol
RefChem:446004DTXCID4042337209-478-7Naphthalene-2,7-diolMFCD00004085NSC 4075412,7-NaphthalindiolNaphthalenediol-2,7 [French]
데이터베이스 식별자
- CAS
582-17-2- PubChem CID
- 11397
- DTXSID
DTXSID2060387- ChEMBL
CHEMBL205165- UNII
- 0TO8E448UD
- EC Number
- 209-478-7
- Nikkaji
- J70.178E
물성
구조 계산 물성
- XLogP
- 2.3
- 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
- 142
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Naphthols
CosmeticsHair dyeing
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionLight grey or slightly yellow solid; [EC: Opinion of the SCCP on 2,7-naphthalenediol] Grey powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 185 · 185-190 °C (lit.)
- 끓는 점
- 246.06 °C · 246.06°C (rough estimate)
- 밀도
- 1.0924 · 1.0924 (rough estimate)
- 굴절률
- 1.5418 · 1.5418 (estimate)
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 9.14 · 9.14±0.40(Predicted)
- 색상
- 회색
- 수용성
- 불용성
- BRN
- 2042383 · 2042383
- 화장품 원료 기능
- 머리 염색
- InChI
- 1S/C10H8O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H
- InChIKey
- DFQICHCWIIJABH-UHFFFAOYSA-N
- SMILES
- Oc1ccc2ccc(O)cc2c1
- LogP
- 1.98 · 1.980 (est)
- NIST
- 2 · 2,7-Naphthalenediol(582-17-2)
- EPA
- 2 · 2,7-Naphthalenediol (582-17-2)
화학적 성질
Light yellow to grey needle crystal
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.2% (1 of 81) of reports.
Danger
H302 (14.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 81 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: 2,7-Naphthalenediol
2,7-Naphthalene diol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2,7-Naphthalenediol: Human health tier II assessment
Hazards Summary
Not irritating to rabbit skin; Highly irritating and corrosive to rabbit eyes; A moderate skin sensitizer using the mouse local lymph node assay (LLNA); Changes in hematology (reduced hemoglobin in males and higher MCV and MCH values in females), clinical chemistry (increased GGT in males and ALT in females), and histopathological changes in liver and kidney observed in 90-day oral study of rats; Hematological changes and histopathology of liver and kidney reversed within four week recovery period; No evidence of teratogenicity in rats; Not likely to have mutagenic potential in vivo; [EC: SCCP] A skin and strong eye irritant; [Alfa Aesar MSDS] See 1-Napththol and 2-Naphthol.
Hazard Classes and Categories
Acute Tox. 4 (14.8%)
Eye damage - category 1
독성 정보
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- QJ4780000
- HS 번호
- 29072900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Uses
Used in oxidative hair dye formulations; [EC: SCCP]
Dressing Hair [Category: Other]
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information2,7-Naphthalenediol: ACTIVE
응용 분야
용도2,7-Dihydroxynaphthalene can be used as starting material for the synthesis of sulfonic acids and divinylnaphthalenes.
상·하류 제품 정보
하류 제품
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