2,7-Naphthalenediol (HCID 11397)

概要

2,7-naphthalenediol has been reported in Magnolia liliiflora with data available.

名称と識別子

優先名称: 2,7-Naphthalenediol
IUPAC: naphthalene-2,7-diol
現地名: 2,7-ジヒドロキシナフタレン
英語名: 2,7-Dihydroxynaphthalene
分子式: C10H8O2
分子量: 160.17

名称と別名

2,7-DIHYDROXYNAPHTHALENE2,7-Naphthalenediol582-17-2Naphthalenediol-2,7CI 76645C.I. 766452,7-naphthalene diol0TO8E448UDDTXSID2060387NSC-407541CI-76645C.I.-76645

名称をさらに表示

2,7-ジヒドロキシナフタレンナフタレン-2,7-ジオール2,7-ナフタレンジオール2,7‐ジヒドロキシナフタレン2,7‐ナフタレンジオール2,7-DONc.i.766452,7-Dihydroxy2,7-Naphthelendiol2,7-Naphtalenediol

RefChem:446004DTXCID4042337209-478-7Naphthalene-2,7-diolMFCD00004085NSC 4075412,7-NaphthalindiolNaphthalenediol-2,7 [French]

データベース識別子

CAS: 582-17-2
PubChem CID: 11397
DTXSID: DTXSID2060387
ChEMBL: CHEMBL205165
UNII: 0TO8E448UD
EC Number: 209-478-7
Nikkaji: J70.178E

物性

構造計算による物性

XLogP: 2.3
極性表面積: 40.5 Å²
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: 142

実験および物理化学的性質

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]

物理化学的性質

融点: 185 · 185-190 °C (lit.)
沸点: 246.06 °C · 246.06°C (rough estimate)
比重(密度): 1.0924 · 1.0924 (rough estimate)
屈折率: 1.5418 · 1.5418 (estimate)
貯蔵温度: 30 °C · Store below +30°C.
溶解性: DMSO（微量）、メタノール（微量）
外見: 粉
酸解離定数(Pka): 9.14 · 9.14±0.40(Predicted)
色: グレー
水溶解度: 不溶性
BRN: 2042383 · 2042383
化粧品成分の機能: ヘアカラーリング
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)
CAS データベース: 582 · 582-17-2(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2,7-Naphthalenediol(582-17-2)
EPAの化学物質情報: 2 · 2,7-Naphthalenediol (582-17-2)

化学的性質

化学的特性Light yellow to grey needle crystal

安全と法規制

GHS分類

GHS Classification · 6 件

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

危険有害性情報

Regulatory Information · 2 件

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 · 1 件

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 · 2 件

Acute Tox. 4 (14.8%)

Eye damage - category 1

毒性情報

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.

安全データ

wgk: 2
tsca: TSCA listed
rtecs: QJ4780000
hs_code: 29072900
risk_code: 36/37/38
化審法: (4)-356
hazard_code: Xi
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

Uses · 2 件

Used in oxidative hair dye formulations; [EC: SCCP]

Dressing Hair [Category: Other]

Use ClassificationCosmetics -> Hair dyeing

General Manufacturing Information2,7-Naphthalenediol: ACTIVE

応用分野

用途有機合成原料。

使用2,7-Dihydroxynaphthalene can be used as starting material for the synthesis of sulfonic acids and divinylnaphthalenes.

上流・下流製品情報

下流製品

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

无锡市凯立生物科技有限公司0510-80721533 13327925606 · [email protected]

2,7-ジヒドロキシナフタレン

基本情報

概要