1,5-ジヒドロキシナフタレン
1,5-Dihydroxynaphthalene
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基本情報
- CAS
83-56-7- 標準SMILES
Oc1cccc2c(O)cccc12- InChIKey
BOKGTLAJQHTOKE-UHFFFAOYSA-N- 分子式
- C10H8O2
- 平均分子量
- 160.17 g/mol
- 単同位体質量
- 160.05242949
概要
1,5-naphthalenediol has been reported in Sanicula lamelligera and Magnolia liliiflora with data available.
名称と識別子
- 優先名称
- 1,5-Dihydroxynaphthalene
- IUPAC
- naphthalene-1,5-diol
- 現地名
- 1,5-ジヒドロキシナフタレン
- 英語名
- 1,5-Dihydroxy naphthalene
- 分子式
- C10H8O2
- 分子量
- 160.17
名称と別名
1,5-DIHYDROXYNAPHTHALENE83-56-71,5-NaphthalenediolDurafur Developer EOxidation BaseCI 76625C.I. 76625DTXSID2052574P25HC23VH6NSC-7202DTXCID9031147RefChem:73484
名称をさらに表示
1,5-ジヒドロキシナフタレン1,5-ナフタレンジオール1,5-ジヒドロキシナフタリンデュラフルデベロッパーEズラフルデベロッパーEナフタレン-1,5-ジオールオキシデーションベース1，5ジヒドロキシナフタレン1,5-ジヒドロキシナフタレン(1,5-ナフタレンジオール)1,5‐ナフタレンジオールc.i.76625oxidationbasedurafurdevelopere
201-487-4naphthalene-1,5-diol1,5-Dihydroxy naphthalene1,5-Dihydroxynapthalene1,5-dihydroxynaphtaleneMFCD00003980napht1,5-Naphthalindiol
データベース識別子
- CAS
83-56-7- PubChem CID
- 6749
- DTXSID
DTXSID2052574- ChEMBL
CHEMBL204658- UNII
- P25HC23VH6
- EC Number
- 201-487-4
- Nikkaji
- J70.174B
物性
構造計算による物性補完中
- XLogP
- 1.8
- 極性表面積
- 40.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 140
実験および物理化学的性質
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]-
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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
危険有害性情報
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
安全と保護具
Fire Fighting
化学と産業
用途と製造
UsesUsed to make dyes; [Hawley]
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information1,5-Naphthalenediol: ACTIVE
応用分野
用途黒色の触染アゾ染料中間体。
使用1,5-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.
調製方法
純化方法The diol (~30g) is purified by making into a thick paste with H2O and suspending this in 3L of H2O containing 200mL of EtOH, boiling under reflux for 3hours, cooling to 30o, saturating with SO2, digesting below the boiling point for 1hour and filtering fast through a large hot filter paper. The hot filtrate is poured onto crushed ice whereby the diol (15-20g) separates as colourless needles (m 258o) [Wheeler & Ergle J Am Chem Soc 52 4873 1930]. Recrystallise it from H2O or nitromethane under N2 to avoid oxidation. The dibenzoyl derivative has m 245o (from EtOH). The 5-methoxy-1-naphthol derivative [prepared from the diol in MeOH/HCl (1:30 weight to volume ratio) and set aside at 25o for 9-10days] crystallised from pet ether (m 135-136o) or from CH2Cl2/hexane (needles m 140o) [Bell & McCaffrey Aust J Chem 46 731 1993]. [Beilstein 6 I 477, 6 II 950, 6 III 5265, 6 IV 6554.]
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上流原料
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