기본 정보
- CAS
480-22-8- 표준 SMILES
Oc1cccc2cc3cccc(O)c3c(O)c12- InChIKey
YUTJCNNFTOIOGT-UHFFFAOYSA-N- 분자식
- C14H10O3
- 평균 분자량
- 226.23 g/mol
- 단동위원소 질량
- 226.06299418
개요
1,8,9-trihydroxyanthracene appears as odorless yellow leaflets or needles; yellow powder. Tasteless. Filtrate from water suspension is neutral to litmus. When exposed to air, alkaline solutions turn red and lose their fluorescence. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 1,8,9-Anthracenetriol
- IUPAC
- anthracene-1,8,9-triol
- 현지명
- 1,8,9-트리히드록시안트라센
- 영어명
- 1,8,9-Trihydroxyanthracene
- 분자식
- C14H10O3
- 분자량
- 226.23
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
480-22-8- PubChem CID
- 10187
- DTXSID
DTXSID7026231- ChEMBL
CHEMBL1579066- ChEBI
CHEBI:2756- Nikkaji
- J5.223J
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 60.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 255
실험 및 물리화학적 성질
Physical Description
1,8,9-trihydroxyanthracene appears as odorless yellow leaflets or needles; yellow powder. Tasteless. Filtrate from water suspension is neutral to litmus. When exposed to air, alkaline solutions turn red and lose their fluorescence. (NTP, 1992)
물리화학적 성질
- 녹는점
- 181 °C · 181 °C
- 끓는 점
- 327.84 °C · 327.84°C (rough estimate)
- 밀도
- 1.2022 · 1.2022 (rough estimate)
- 굴절률
- 1.5767 · 1.5767 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 6.23 · 6.23±0.30(Predicted)
- 색상
- 황색 분말
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
- EPA
- 1 · 1,8,9-Anthracenetriol (480-22-8)
화학적 성질
yellow crystalline powder
안전 및 규제
유해성 정보
Reactivity Profile
1,8,9-TRIHYDROXYANTHRACENE is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. This chemical is incompatible with strong oxidizing agents. (NTP, 1992).
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then dampen the solid spill material with toluene, then transfer the dampened material to a suitable container. Use absorbent paper dampened with toluene to pick up any remaining material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash all contaminated surfaces with toluene followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
안전 데이터
- rtecs
- CB1225000
- 독성
- mmo-sat 100 mg/plate BCSTB5 5,1489,77
- HS 번호
- 2907.29.9000
화학 및 산업
용도 및 제조
응용 분야
용도Antipsoriatic.
일반 설명Odorless yellow leaflets or needles; yellow powder. Tasteless. Filtrate from water suspension is neutral to litmus. When exposed to air, alkaline solutions turn red and lose their fluorescence.
공급사33 곳
추가 설명
정의ChEBI: An anthracenetriol that is anthracene substituted by hydroxy groups at positions 1, 8 and 9.
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