아크리딘

아크리딘 · Akridin · 2,3-Benzoquinoline · 10-Azaanthracene · DIBENZO[B,E]PYRIDINE · ACRIDINE · Acrydine · NSC 3408

식별자 및 물리적 특성

CAS No.	260-94-6
분자식	C13H9N
평균 분자량	179.22 g/mol
단동위원소 질량	179.07349929 g/mol
SMILES	c1ccc2nc3ccccc3cc2c1
InChIKey	DZBUGLKDJFMEHC-UHFFFAOYSA-N
PubChem CID	9215
ChEMBL	CHEMBL39677
ChEBI	CHEBI:36420
EC No.	205-971-6
DTXSID	DTXSID8059766
현지명	아크리딘

화학 및 물리적 성질

XLogP	3.4
극성 표면적	12.9
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	14
형식 전하	0
복잡도	181
pH	A WEAK BASE, COLORS LITMUS PAPER BLUE
LogP(분배 계수)	Log P= 3.40
밀도	1.2 at 68 °F (approx.) (USCG, 1999) - Denser than waterwill sink1.005 @ 20 °C/4 °C1,005 g/cm3
Color/Form	RHOMBOHEDRAL NEEDLES OR PRISMS FROM ALCOHOLMONOCLINIC, ORTHORHOMBICSMALL COLORLESS NEEDLESORTHORHOMBIC PLATES, NEEDLES FROM DILUTED ALCOHOLSMALL, COLORLESS OR FAINTLY YELLOW CRYSTALS
용해도	SLIGHTLY SOL IN HOT WATERVERY SOL IN ALCOHOL, ETHER, BENZENE AND CARBON DISULFIDEFreely sol in hydrocarbonsslightly soluble in boiling water, liquid ammonia, liguid sulfur dioxidesparingly soluble in light petroleumVery soluble in carbon disulfidevery soluble in ethanol, ether, benzeneslightly soluble in water1 gm soluble in <1 ml boiling benzene or alcohol5 ml benzene (20 °C)6 ml alcohol (20 °C)16 ml of ether (20 °C)1.8 ml boiling cyclohexane.In water= 38.4 mg/L at 24 °C.디옥산: 0.1 g/mL, 투명
끓는 점	655 °F at 760 mmHg (NTP, 1992)345.5 °C @ 760 mm Hg346 °C(lit.)
Decomposition	WHEN HEATED TO DECOMPOSITION, ACRIDINE EMITS TOXIC FUMES.When heated to decomp ... emits toxic fumes of /nitrogen oxides/.
녹는점	225 to 230 °F (NTP, 1992)111 °C106 °C (form a)110 °C (form b)225-230 °F106-109 °C
증기압	1 mmHg at 255.9 °F (NTP, 1992)Vapor pressure= 1.35X10-4 mm Hg at 25 °C /extrapolated from experimentally-derived coefficients/1 MM HG @ 129 °Cvaries depending upon the specific compound
Physical Description	Small colorless needle-like crystalline solid. Slightly soluble in hot water. Slightly denser than water. Contact may irritate skin, eyes, and mucous membranes. Sublimes before melting when heated. May be toxic by ingestion.Pale yellow solid[Merck Index] Colorless solid[Hawley] Yellow crystalline powder[MSDSonline]Small colorless needle-like crystalline solid.
Stability/Shelf Life	VOLATILE WITH STEAM
Ionization Efficiency	Positive3.912.7Agilent XCTElectrospray ionizationformic acid (5.3nM)
굴절률	1.7270 (estimate)
인화점	346°C
저장 조건	Refrigerator
pKa(산도 계수)	5.58(at 20℃)
물리적 상태	결정성 분말
색상	노란색에서 황갈색
용해도	57.35mg/L(24℃)
Merck	14,122
BRN	120200
헨리 상수	3.3×101 mol/(m3Pa) at 25℃, Mackay et al. (2006)
안정성	안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
주요 응용	유기 발광 다이오드, 포토레지스트, 나노센서, 연료 전지, 메모리 장치, 반도체, 정보 저장 장치, 액정 디스플레이, 제품 위조 감별, 잉크, 접착제, 섬유, 염색약, 유전자 검출 분석법, 세포 염색, 바이오센서, 핵산, 단백질, 항HCV 항체 검출, 항균제, 항아밀로이드제, 상처 드레싱 재료, 감염, 알레르기 및 암 백신
InChI	1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H
InChIKey	DZBUGLKDJFMEHC-UHFFFAOYSA-N
SMILES	c1ccc2nc3ccccc3cc2c1 \|\| c1ccc2nc3ccccc3cc2c1
LogP(분배 계수)	3.400
EPA	Acridine (260-94-6)

화학적 성질

colourless to light yellow crystals

안전 및 규제

GHS 분류	WarningH302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (10%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (18%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (16%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (10%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (22%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 8 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.
규제 정보	Chemical: AcridineAcridine: HSNO Approval: HSR001561 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
운송 라벨(DOT)	Poison
화재 위험	Special Hazards of Combustion Products: Toxic oxides of nitrogen may form in fire.Behavior in Fire: Sublimes before melting (USCG, 1999)· Combustible material: may burn but does not ignite readily.· When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards.· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.· Corrosives in contact with metals may evolve flammable hydrogen gas.· Containers may explode when heated.· Runoff may pollute waterways.· Substance may be transported in a molten form.

용도

manufacture of dyes and intermediates; some dyes derived from it are used as antiseptics, e.g. 9-aminoacridine, acriflavine and proflavine. The hydrochloride has been used as reagent for cobalt, iron and zinc.

일반 설명

Small colorless needle-like crystalline solid. Slightly soluble in hot water. Slightly denser than water. Contact may irritate skin, eyes, and mucous membranes. Sublimes before melting when heated. May be toxic by ingestion.