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안트론

Anthrone

HCID 7018
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
90-44-8
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 물성보충 중

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
형식 전하
0
복잡도
234

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
Vapor Pressure0.0000183 [mmHg]
Physical DescriptionColorless solid; [Hawley] Colorless crystalline powder; [Alfa Aesar MSDS]
Stability/Shelf LifeTENDENCY TO CHANGE TO ANTHRAQUINONE /IN SOLN/
Other Experimental Properties · 3건

ANY FLUORESCENCE PRESENT IS DUE TO ANTHRANOL

ADDITION CMPD WITH 4 MOLECULES DESOXYCHOLIC ACID, C110-H170-O17, MP 179 °C

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

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).

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.

상·하류 제품 정보

상류 원료

안트라퀴논Tin granular

관련 반응

22건
반응 기록 만들기
HRID 47175 반응식
HRID 47175반응물로uspto-grants-2004_03
HRID 247541 반응식
HRID 247541생성물로uspto-grants-1987_11
HRID 323695 반응식
HRID 323695생성물로uspto-grants-2001_04
HRID 358435 반응식
HRID 358435생성물로uspto-grants-1984_08
HRID 414475 반응식
HRID 414475반응물로uspto-grants-1988_12
HRID 431413 반응식
HRID 431413반응물로uspto-grants-2003_12
HRID 441591 반응식
HRID 441591생성물로uspto-grants-1977_08
HRID 462936 반응식
HRID 462936생성물로uspto-grants-1985_05
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화합물 노트

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EQUIL IN ABSOLUTE ALCOHOL: 89% ANTHRONE; 11% ANTHRANOL; TENDENCY TO CHANGE TO ANTHRAQUINONE

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
물리적 상태
가루
색상
노란색
수용성
불용성
Merck
14 · 14,691
BRN
1910173 · 1910173
Henry's Law Constant
1.2 · 1.2×101 mol/(m3Pa) at 25℃, HSDB (2015)
안정성
안정적인. 강한 산화제와 호환되지 않습니다. 타기 쉬운.
주요 응용
진단 검사 제조혈액학조직학
InChI
1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2
InChIKey
RJGDLRCDCYRQOQ-UHFFFAOYSA-N
SMILES
O=C1c2ccccc2Cc3ccccc13
NIST
Anthrone(90-44-8)
EPA
9 · 9(10H)-Anthracenone (90-44-8)

화학적 성질

off-white to light yellow crystals

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).
Sediment/Soil Concentrations · 1건

Superficial marine sediments of Cortiou Creek, in the sewage area of Marseilles, France, are contaminated with anthrone at concentrations ranging from non-detectable to 300 ng/g (9 of 10 sites had measurable quantities of anthrone; detection limit not given)(1).

Environmental Bioconcentration · 1건

An estimated BCF value of 360 was calculated for anthrone(SRC), using a measured log Kow of 3.66(1) and a recommended regression-derived equation(2). According to a recommended classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms will be an important fate process(SRC).

Volatilization from Water/Soil · 1건

The Henry's Law constant for anthrone is estimated as 7.9X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that anthrone will slowly volatilize from water surfaces(2,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 65 days(2,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 480 days(2,SRC). Anthrone's values for vapor pressure(3) and Henry's Law constant(1,SRC) indicate that volatilization from dry and moist soil surfaces is not likely to be a major fate process for this compound(SRC).

Environmental Abiotic Degradation · 1건

The rate constant for the vapor-phase reaction of anthrone with photochemically produced hydroxyl radicals has been estimated as 9.8X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 40 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC).

Probable Routes of Human ExposureNIOSH (NOES Survey 1981-1983) has statistically estimated that 28 workers are potentially exposed to anthrone in the USA(1).
Environmental Water ConcentrationsDRINKING WATER: Two samples of Ottawa drinking water, one collected in January and the other in February 1978, contained non-detectable (detection limit not reported) and 1.4 ng/L anthrone, respectively(1).

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
hazard_code
Xi,Xn
safety_code
26-36
기존화학 물질
KE-01829
F 고인화성물질
8
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
90-44-8(Hazardous Substances Data)
아세트산9-안트릴에스테르
9(10H)-Anthracenone, oxime
9,10-DIHYDROANTHRACEN-9-OL
9,10-Dihydroxy-9,10-dihydroanthracene
2-벤질벤조산
t-부틸 퍼옥시벤조에이트

하류 제품

Solvent Red 14910-니트로안트론C.I. 용제 적 52벤즈안트론Vat Black 299- 페닐 안트라센9-비닐안트라센9,10-Dihydroanthracene안트라센옥산트라놀9-브로 모-10-(2-naphthyl) anthraceneBianthrone

추가 설명

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