기본 정보
- 표준 SMILES
Oc1cccc2c(O)cccc12- InChIKey
BOKGTLAJQHTOKE-UHFFFAOYSA-N- 분자식
- C10H8O2
- 평균 분자량
- 160.17 g/mol
- 단동위원소 질량
- 160.0524295
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
이름 더 보기
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 물성
- 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
Flash Point
252 °C
252 °C c.c.
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]-
물리화학적 성질
- 녹는점
- 259 · 259-261 °C (dec.) (lit.)
- 끓는 점
- 246.06 °C · 246.06°C (rough estimate)
- 밀도
- 1.0924 · 1.0924 (rough estimate)
- 증기압
- 0 · 0-0Pa at 25℃
- 굴절률
- 1.5418 · 1.5418 (estimate)
- 인화점
- 252 °C · 252°C
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 0.6 g/L · 0.6g/L
- 산도 계수 (pKa)
- 9.28 · 9.28±0.40(Predicted)
- 물리적 상태
- 고체
- 색상
- 옅은 베이지부터 아주 어두운 갈색까지
- 수소이온지수(pH)
- 6 · 6 (0.5g/l, H2O, 20℃)
- 수용성
- 물에 용해됩니다.
- BRN
- 2044951 · 2044951
- 화장품 원료 기능
- 머리 염색
- InChI
- 1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H
- InChIKey
- BOKGTLAJQHTOKE-UHFFFAOYSA-N
- SMILES
- Oc1cccc2c(O)cccc12
- LogP
- 1.7 · 1.7-1.82 at 23℃
- NIST
- 1 · 1,5-Naphthalenediol(83-56-7)
- EPA
- 1 · 1,5-Naphthalenediol (83-56-7)
화학적 성질
Grey powder 1,5-Naphthalenediol [83-56-7], 1,5-dihydroxynaphthalene, Azurol, C10H8O2, Mr 160.16, forms colorless needles (from aqueous methyl cellosolve). The compound is sublimable, readily soluble in ether and acetone, but only sparingly soluble in water and hydrocarbons. It is oxidized to 5-hydroxy-1,4-naphthoquinone ( juglone) by CrO3. Amination gives 1,5-naphthalenediamine; coupling with diazotized anilines occurs in the 2- or 4-position.
안전 및 규제
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
Status: Active Update: 25-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27320
1,5-Naphthalenediol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (77.8%)
Acute toxicity - category 4
안전 및 보호
First Aid Measures
Fresh air, rest.
Rinse and then wash skin with water and soap.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth.
독성 정보
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- QJ4740000
- HS 번호
- 29072900
- risk_code
- 22-51/53-36-36/37/38
- hazard_code
- Xn,N,Xi
- safety_code
- 22-24/25-61-39-29-26
- 기존화학 물질
- 2015-3-6385
- F 고인화성물질
- 8-21
- Hazard Classifications
- Aquatic Chronic 2Eye Irrit. 2Skin Sens. 1B
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
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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