蒽酮

Anthrone

HCID 7018CAS 90-44-8

基本信息

标准SMILES
O=C1c2ccccc2Cc2ccccc21
InChIKey
RJGDLRCDCYRQOQ-UHFFFAOYSA-N
分子式
C14H10O
平均分子量
194.23 g/mol
单同位素质量
194.07316494

概述

Anthrone is a member of the class of anthracenes that is 9,10-dihydroanthracene carrying an oxo group at C-9. It has a role as a radical scavenger. It is a tautomer of a 9-anthrol.

名称与标识

首选名称
Anthrone
IUPAC
10H-anthracen-9-one
中文名
蒽酮
英文名
Anthrone
分子式
C14H10O
分子量
194.23

名称与别名

ANTHRONE90-44-89(10H)-AnthracenoneCarbothroneanthracen-9(10H)-oneAnthranone9-Oxoanthracene9,10-Dihydro-9-oxoanthraceneAnthracene, 9,10-dihydro-9-oxo-DTXSID1049431FP0FJ7K744CHEBI:33835
展开更多名称
恩酮蒽酮9-蒽酮蒽酮试液闥?驟?蒽酮 粗制蒽酮95%蒽酮标准品蒽酮对照品蒽酮,97%Anthron(10H)-9-AnthracenoneAnthroneGrANTHRACENONEAnthrone,97%
NSC-1965DTXCID0029391RefChem:113082201-994-010H-anthracen-9-oneAz-OMFCD000011879,10-DIHYDROANTHRACEN-9-ONE

数据库标识

CAS
90-44-8
PubChem CID
7018
DTXSID
DTXSID1049431
ChEMBL
CHEMBL124440
ChEBI
CHEBI:33835
UNII
FP0FJ7K744
EC Number
201-994-0
Nikkaji
J3.916K

性质

结构计算性质

XLogP
3.7
极性表面积
17.1 Ų
氢键供体
0
氢键受体
1
可旋转键
0
重原子
15

实验与物化性质

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials PropertiesAngular frequency
LogP · 2 条

Log Kow = 3.66

3.46

Color/Form · 2 条

ORTHORHOMBIC NEEDLES FROM BENZENE AND PETROLEUM ETHER

COLORLESS NEEDLES

Solubility · 2 条

SOL IN MOST ORG SOLVENTS WITHOUT FLUORESCENCE

SOL IN ACETONE, HOT BENZENE, CONCN SULFURIC ACID, HOT DIL ALKALI

Melting Point155 °C

物理化学性质

熔点
154 · 154-157 °C (lit.)
沸点
721 °C · 721 °C
堆积密度
450 kg/m3 · 450kg/m3
密度
1.055 · 1.0550 (rough estimate)
折射率
1.55 · 1.5500 (estimate)
储存条件
2 · 2-8°C

化学性质

无色针状结晶体。熔点为155℃,溶于大多数有机溶剂和热氢氧化钠溶液,不溶于水。无荧光,所出现的荧光是由蒽酚所致。

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 3.9% (2 of 51) of reports.

Warning

H315 (96.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information · 2 条

Chemical: 9(10H)-Anthracenone

9(10H)-Anthracenone: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and severe eye irritant; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesSkin Irrit. 2 (96.1%)

安全与防护

Disposal Methods · 1 条

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

毒理信息

Environmental Fate · 3 条

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 2300(SRC), determined from a measured log Kow(2) and a recommended regression-derived equation(3), indicates that anthrone will have only slight mobility in soil(SRC). Biodegradation of anthrone is expected based on limited data and may be a major fate process for this compound in soil(SRC). A mixed bacterial population, isolated from a hydrocarbon-polluted creek, degraded 40% of anthrone to traces of anthrone and to anthraquinone in 30% yield(4). Anthrone's estimated values for vapor pressure(5) and Henry's Law constant(6,SRC) indicate that volatilization from dry and moist soil surfaces is not likely to be a major fate process for this compound(SRC).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 2300(SRC), determined from a measured log Kow(2) and a recommended regression-derived equation(3), indicates that anthrone should adsorb to sediment and suspended solids(SRC). Anthrone may volatilize slowly from water surfaces based on an estimated Henry's Law constant of 7.9X10-7 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Estimated half-lives for a model river and model lake are 65 and 480 days, respectively(3,SRC). An estimated BCF value of 360(3,SRC), from a measured log Kow(2), suggests that anthrone will bioconcentrate in aquatic organisms(SRC), according to a recommended classification scheme(5).

ATMOSPHERIC FATE: According to a suggested classification scheme(1), an estimated vapor pressure of 1.8X10-5 mm Hg at 25 °C(2,SRC) indicates that anthrone will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase anthrone is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be about 40 hours(3,SRC). Particulate-phase anthrone may be physically removed from the air by dry deposition(SRC).

Animal ConcentrationsSnails, Thais haemostoma, which had been collected from two areas offshore in Pensacola Bay, FL near an onshore hazardous-waste site contained anthrone/phenanthrone at unreported concentrations(1).
Effluent Concentrations · 1 条

Several unspecified isomers of anthrone were detected in chlorinated coal-tar leachate at unreported concentrations(1). A heavy-duty diesel exhaust particulate sample, NBS SRM 1650, contained anthrone at unreported concentrations(2). Diesel emission particulates, collected from a Volkswagen Rabbit contained anthrone(3). Fine particle emissions from the combined exhaust of a vented natural gas-fired residential space heater plus a water heater contained 21.4 pg/kJ anthrone(4).

Soil Adsorption/Mobility · 1 条

The Koc of anthrone is estimated as approximately 2300(SRC), using a measured log Kow of 3.66(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that anthrone has only slight mobility in soil(SRC).

Atmospheric ConcentrationsREMOTE: Anthrone was found on aerosols from the southern North Atlantic Ocean, at a mean concentration of 0.47 ng/cu m(1).
Artificial Pollution SourcesAnthrone's production and use in organic synthesis and as a general reagent for carbohydrates(1) may result in its release to the environment through various waste streams(SRC).

安全数据

F
8
wgk
3
tsca
TSCA listed
毒性
mmo-sat 60 mg/plate MUREAV 157,149,85
RTECS号
CB8925500
存储类别
11 - Combustible Solids
包装储运 · 3 条

可燃性危险特性可燃; 燃烧产生刺激烟雾

储运特性库房通风低温干燥

灭火剂干粉,泡沫,沙土,二氧化碳, 雾状水

化学与工业

药理信息

Metabolism/MetabolitesYIELDS ANTHRAQUINONE & 9-HYDROXYANTHRACENE IN RATS. /FROM TABLE/

用途与制造

Uses · 4 条

Used in the colorimetric determination of sugar and animal starch in body fluids, as a general reagent for carbohydrates, in the determination of animal starch in liver tissue, and in organic synthesis; [HSDB]

IN COLORIMETRIC DETERMINATION OF SUGAR AND ANIMAL STARCH IN BODY FLUIDS; IN ORG SYNTHESIS

GENERAL REAGENT FOR CARBOHYDRATES; DETERMINATION OF ANIMAL STARCH IN LIVER TISSUE

Derivatives: melitracen

Methods of ManufacturingFROM ANTHRAQUINONE BY REDN WITH TIN, GLACIAL ACETIC ACID AND HYDROCHLORIC ACID. BY CYCLIZATION OF O-BENZYLBENZOIC ACID WITH LIQ HF.
General Manufacturing Information9(10H)-Anthracenone: ACTIVE

应用领域

用途蒽酮试液用于蒽酮法测定可溶性糖,测定肝脏组织中的动物淀粉,以及有机合成。

用途该品用于有机合成,用糖和动物体液中淀粉的比色测定。

制备方法

制备将104g蒽醌、100g锡粒、750ml冰醋酸混合加热至沸,再逐次加入浓盐酸250ml(相对密度为1.19),约2h加完,此时蒽醌应全部溶于反应液中,否则,需补加锡粒和盐酸。再回流1.5h,脱色过滤,滤液用100ml水稀释,冷却至10℃,析出蒽酮结晶,过滤,用水洗使pH=7而得粗晶,干重80g。粗品可用丙酮或苯和石油醚(3:1)混合液重结晶,可得熔点为154-155℃的蒽酮约60g。

生产方法由蒽醌经下列反应得到。将104g蒽醌、100g锡粒、750ml冰醋酸混合加热至沸,再逐次加入浓盐酸250ml(相对密度为1.19),约2h加完,此时蒽醌应全部溶于反应液中,否则,需补加锡粒和盐酸。再回流1.5h,脱色过滤,滤液用100ml水稀释,冷却至10℃,析出蒽酮结晶,过滤,用水洗使pH=7而得粗晶,干重80g。粗品可用丙酮或苯和石油醚(3:1)混合液重结晶,可得熔点为154-155℃的蒽酮约60g。

试剂价格

A19118 · 100g
蒽酮, 96%Anthrone, 96% — 1749元
030739 · 25g
蒽酮, ACSAnthrone, ACS — 154元

供应商50 家

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

相关反应

22 条

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