基本情報
- CAS
132-86-5- 標準SMILES
Oc1cc(O)c2ccccc2c1- InChIKey
XOOMNEFVDUTJPP-UHFFFAOYSA-N- 分子式
- C10H8O2
- 平均分子量
- 160.17 g/mol
- 単同位体質量
- 160.05242949
名称と識別子
- 優先名称
- 1,3-Dihydroxynaphthalene
- IUPAC
- naphthalene-1,3-diol
- 現地名
- 1,3-ジヒドロキシナフタレン
- 英語名
- 1,3-Dihydroxynaphthalene
- 分子式
- C10H8O2
- 分子量
- 160.17
名称と別名
1,3-Naphthalenediol132-86-51,3-DIHYDROXYNAPHTHALENENaphthoresorcinol5X457YEW8YDTXSID8059631RefChem:832042DTXCID8034081205-079-7Naphthalene-1,3-diolNaphthoresoucinol3-Hydroxybenzocyclohexadien-1-one
名称をさらに表示
1,3-ジヒドロキシナフタレンナフトレソルシノールナフトレゾルシノール1,3-ナフタレンジオールナフタレン-1,3-ジオール1，3‐ナフタレンジオ-ル1,3-ジヒドロキシナフタレン(1,3-ナフタレンジオール)1,3‐ナフタレンジオール1,3-ジヒドロキシナフタレン, 98%NAPHTORESORCINENAPHTHORESORCINEnaphtharesorcinol1,3-phthalenediolNaphthoresorcinolGr1,3-Dioxynaphthalene
MFCD00003965NaphthoresorcinCCRIS 7896AI3-08780EINECS 205-079-7UNII-5X457YEW8YNSC 115890NSC-115890
データベース識別子
- CAS
132-86-5- PubChem CID
- 8601
- DTXSID
DTXSID8059631- ChEMBL
CHEMBL381547- UNII
- 5X457YEW8Y
- EC Number
- 205-079-7
- Nikkaji
- J5.577H
物性
構造計算による物性
- XLogP
- 2
- 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
- 158
実験および物理化学的性質
Vapor Pressure0.00000715 [mmHg]
Physical DescriptionClear solid; [Hawley] Tan powder; [MSDSonline]
物理化学的性質
- 融点
- 123 · 123-125 °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
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解性
- 50 mg/mL · エタノール：可溶50mg/mL
- 外見
- 結晶性
- 酸解離定数(Pka)
- 9.15 · 9.15±0.40(Predicted)
- 色
- 白から黄褐色
- 水溶解度
- エタノール (50 mg/ml) および水に可溶。
- Merck
- 14 · 14,6396
- BRN
- 2044002 · 2044002
- InChI
- 1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H
- InChIKey
- XOOMNEFVDUTJPP-UHFFFAOYSA-N
- SMILES
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
Warning
H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H341 (10.4%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: 1,3-Naphthalenediol
1,3-Naphthalenediol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin, eye, and respiratory tract irritant; [MSDSonline] See Resorcinol.
Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；STOT SE 3 (95.8%)；Muta. 2 (10.4%)
法規制情報
Regulatory Information
Chemical: 1,3-Naphthalenediol
1,3-Naphthalenediol: Does not have an individual approval but may be used under an appropriate group standard
化学と産業
用途と製造
UsesUsed as an analytical reagent and to make dyes and pharmaceuticals; [Hawley]
General Manufacturing Information1,3-Naphthalenediol: ACTIVE
応用分野
説明1,3-Dihydroxynaphthalene (1,3-DHN) is a multifunctional chemical reagent. Similar to resorcinol, it can be phosphorylated at room temperature using phosphotriamide, though its rate of diphosphorylation is lower. In addition, the 1,3-DHN molecule exhibits fluorescent properties, with absorption spectra peaking at 290 nm and 330 nm, while the emission spectrum shows a peak at 380 nm and a shoulder peak at 425 nm. Non-ionic surfactants significantly enhance the fluorescence intensity of 1,3-DHN, whereas the addition of cationic or anionic additives diminishes its fluorescence intensity.
使用Reagent for sugars, oils, and for glucuronic acid in urine: Forsyth, Nature 161, 239 (1948); Heyns, Kelch, Z. Anal. Chem. 139, 339 (1953).
上流・下流製品情報
上流原料
関連反応
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化合物ノート
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