안트론

Anthrone

HCID 7018CAS 90-44-8

기본 정보

표준 SMILES
O=C1c2ccccc2Cc2ccccc21
InChIKey
RJGDLRCDCYRQOQ-UHFFFAOYSA-N
분자식
C14H10O
평균 분자량
194.23 g/mol
단동위원소 질량
194.07316494

개요

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.

이름 및 식별자

우선 이름
Anthrone
IUPAC
10H-anthracen-9-one
현지명
안트론
영어명
Anthrone
분자식
C14H10O
분자량
194.23

이름 및 동의어

ANTHRONE90-44-89(10H)-AnthracenoneCarbothroneanthracen-9(10H)-oneAnthranone9-Oxoanthracene9,10-Dihydro-9-oxoanthraceneAnthracene, 9,10-dihydro-9-oxo-DTXSID1049431FP0FJ7K744CHEBI:33835
이름 더 보기
안트론9(10H)-안트라세논Anthron(10H)-9-AnthracenoneAnthroneGrANTHRACENONEAnthrone,97%
NSC-1965DTXCID0029391RefChem:113082201-994-010H-anthracen-9-oneAz-OMFCD000011879,10-DIHYDROANTHRACEN-9-ONE

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3.7
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
15

실험 및 물리화학적 성질

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

Log Kow = 3.66

3.46

Color/Form · 2건

ORTHORHOMBIC NEEDLES FROM BENZENE AND PETROLEUM ETHER

COLORLESS NEEDLES

Solubility · 2건

SOL IN MOST ORG SOLVENTS WITHOUT FLUORESCENCE

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

Melting Point155 °C

물리화학적 성질

녹는점
154 · 154-157 °C (lit.)
끓는 점
721 °C · 721 °C
밀도
1.055 · 1.0550 (rough estimate)
굴절률
1.55 · 1.5500 (estimate)
저장 조건
2 · 2-8°C
용해도
불용성

화학적 성질

off-white to light yellow crystals

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

안전 및 보호

Disposal Methods · 1건

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.

독성 정보

Environmental Fate · 3건

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 · 1건

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 · 1건

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).

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
CB8925500
독성
mmo-sat 60 mg/plate MUREAV 157,149,85
HS 번호
29143990
risk_code
36/37/38-20/21/22

화학 및 산업

약리 정보

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

용도 및 제조

Uses · 4건

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
응용 분야 · 2건

용도Anthrone is a tricyclic aromatic ketone and related compound of anthracene. Anthrone is used as a reagent in the colorometric determination of carbohydrates.

일반 설명Anthrone has the ability to reduce aldehyde containing reducing sugars such as streptose and N-acetyl glucosamine present in streptomycin, into acids. It develops a red- violet color. Therefore, it is used to determine streptomycin quantitatively. Anthrone has been used to detect carbohydrate containing lipids and to measure sugar content such as sucrose and trehalose in the liquid medium.

공급사50 곳

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]

추가 설명

정의ChEBI: A member of the class of anthracenes that is 9,10-dihydroanthracene carrying an oxo group at C-9.

관련 반응

22건

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