1-ニトロソ-2-ナフトール

1-Nitroso-2-naphthol

HCID 8580CAS 131-91-9

部分構造検索類似構造を探す

基本情報

標準SMILES: O=Nc1c(O)ccc2ccccc12
InChIKey: YXAOOTNFFAQIPZ-UHFFFAOYSA-N
分子式: C10H7NO2
平均分子量: 173.17 g/mol
単同位体質量: 173.04767847

名称と識別子

優先名称: 1-Nitroso-2-naphthol
IUPAC: 1-nitrosonaphthalen-2-ol
現地名: 1-ニトロソ-2-ナフトール
英語名: 1-Nitroso-2-naphthol
分子式: C10H7NO2
分子量: 173.17

名称と別名

1-Nitroso-2-naphthol131-91-92-Naphthalenol, 1-nitroso-Nitroso-beta-naphthol2-Naphthol, 1-nitroso-Zelen moridlova 4757I55U2QXNSC-4151DTXSID9059622RefChem:435075DTXCID5034014205-043-0

名称をさらに表示

1-ニトロソ-2-ナフトール1-ニトロソナフタレン-2-オールN-ヒドロキシ-2,1-ナフトキノンイミンニトロソ-β-ナフトール1,2-ナフタレンジオン1-オキシム1-ヒドロキシイミノナフタレン-2(1H)-オン1-ニトロソ-2-ヒドロキシナフタレン1-(ヒドロキシイミノ)ナフタレン-2(1H)-オン1,2-ナフトキノン1-オキシム1-ニトロソ-2-ナフトール(α-〃,β-〃)1‐ニトロソ‐2‐ナフトール1-ニトロソ-2-ナフト-ル2-ナフトキノン-1-オキシムCI NO 10005Cobalt reagentzelenmoridlova4Compound Fr121781-Nitroso-2-phtholNitroso-2-NaphtholNitroso-β-naphtholTIMTEC-BB SBB009148

C.I. 100001-nitrosonaphthalen-2-ol2636-79-51-Nitroso-2-naftol1-(hydroxyimino)naphthalen-2(1H)-onealpha-Nitroso-beta-naphtholMFCD000038841,2-Naphthalenedione, 1-oxime

データベース識別子

CAS: 131-91-9、2636-79-5
PubChem CID: 8580
DTXSID: DTXSID9059622
ChEBI: CHEBI:194993
UNII: 757I55U2QX
EC Number: 205-043-0
Nikkaji: J430.126I、J5.568I

物性

構造計算による物性

XLogP: 2.3
極性表面積: 49.7 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 195

実験および物理化学的性質

Vapor Pressure0.0000911 [mmHg]

Physical DescriptionYellowish-brown solid; [Merck Index] Brown powder; [Alfa Aesar MSDS]

物理化学的性質

融点: 106 · 106-108 °C (dec.) (lit.)
沸点: 303.81 °C · 303.81°C (rough estimate)
比重(密度): 1.2427 · 1.2427 (rough estimate)
屈折率: 1.52 · 1.5200 (estimate)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 7.87 · 7.87±0.10(Predicted)
外見: 結晶性
色: 黄褐色から茶色
水溶解度: 不溶性
Merck: 14 · 14,6641
BRN: 776947 · 776947
InChI: 1S/C10H7NO2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11-13/h1-6,12H
InChIKey: YXAOOTNFFAQIPZ-UHFFFAOYSA-N
SMILES: Oc1ccc2ccccc2c1N=O
CAS データベース: 131 · 131-91-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Naphthalenol, 1-nitroso-(131-91-9)
EPAの化学物質情報: 2 · 2-Naphthalenol, 1-nitroso- (131-91-9)

化学的性質

化学的特性brown powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (12.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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 · 2 件

Chemical: 2-Naphthalenol, 1-nitroso-

2-Naphthalenol, 1-nitroso-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See 2-Nitroso-1-naphthol.

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)；Skin Irrit. 2 (95.7%)；Eye Irrit. 2A (95.7%)；STOT SE 3 (93.6%)；Aquatic Acute 1 (12.8%)

法規制情報

Regulatory Information · 2 件

Chemical: 2-Naphthalenol, 1-nitroso-

2-Naphthalenol, 1-nitroso-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 8
wgk: 3
tsca: TSCA listed
rtecs: QL4725000
ridadr: UN3077
毒性: LDLo orl-rat: 500 mg/kg NCNSA6 5,35,53
hs_code: 29089000
risk_code: 22-36/37/38-33-20/21/22
化審法: (4)-370
消防法: 危険物第5類
hazard_code: Xn
safety_code: 26-36-45
hazard_class: 9
packing_group: III
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Muta. 2Skin Irrit. 2Skin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

UsesUsed to prevent gum formation in gasoline and for determination of cobalt; [Merck Index]

General Manufacturing Information2-Naphthalenol, 1-nitroso-: ACTIVE

応用分野 · 2 件

用途コバルト(II)、銅(II)、鉄(IIおよびIII)、パラジウム(II)の検出および定量試薬。これらの金属イオンと不溶性キレート化合物を作るので、主として重量法による金属イオンの定量に用いられる。

使用1-Nitroso-2-naphthol as a complexing agent for the on-line preconcentration of cobalt with FI-FAAS. 1-Nitroso-2-naphthol is the chelating ion-exchanger in the synthesis of alumina adsorbents that are of acidic, basic and neutral nature. It is used for the removal and preconcentration of Pb(II), Cu(II), Cr(III) from waste, as well as drinking water. It is also used in the preconcentration of cobalt using C(18) microcolumn with flow injection that is coupled to a flame atomic absorption spectrometry (FI-FAAS) system. 1-Nitroso-2-naphthol is used in the preparation of 1-nitroso-2-naphthol-sodium nitrite reagent.