기본 정보
- 표준 SMILES
OC1c2ccccc2Oc2ccccc21- InChIKey
JFRMYMMIJXLMBB-UHFFFAOYSA-N- 분자식
- C13H10O2
- 평균 분자량
- 198.22 g/mol
- 단동위원소 질량
- 198.06807956
개요
xanthydrol has been reported in Xanthium spinosum and Xanthium strumarium with data available.
이름 및 식별자
- 우선 이름
- Xanthydrol
- IUPAC
- 9H-xanthen-9-ol
- 현지명
- 크산티드롤
- 영어명
- 9-Hydroxyxanthene
- 분자식
- C13H10O2
- 분자량
- 198.22
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
90-46-0- PubChem CID
- 72861
- DTXSID
DTXSID8059009- ChEMBL
CHEMBL5204890- UNII
- 7131M69IKF
- EC Number
- 201-996-1
- Nikkaji
- J4.318D
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 207
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 122 · 122-124 °C
- 끓는 점
- 275.53 °C · 275.53°C (rough estimate)
- 밀도
- 0.83 g/mL · 0.83 g/mL at 20 °C
- 굴절률
- 1.662 · 1.6620 (estimate)
- 인화점
- 11 °C · 11 °C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 0.1 g/mL, · 메탄올: 0.1 g/mL, 투명
- 산도 계수 (pKa)
- 13.57 · 13.57±0.20(Predicted)
- 물리적 상태
- 결정성 분말
- 색상
- 흰색에서 황백색까지
- BRN
- 10395 · 10395
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13-14H
- InChIKey
- JFRMYMMIJXLMBB-UHFFFAOYSA-N
- SMILES
- OC1c2ccccc2Oc3ccccc13
- LogP
- 2.27 · 2.270 (est)
- EPA
- 9 H-Xanthen-9-ol · 9H-Xanthen-9-ol (90-46-0)
화학적 성질
White needle crystals. Melting point 123℃, easily soluble in cold acetone, soluble in alcohol, chloroform, very slightly soluble in water. Dissolved in concentrated sulfuric acid, it is yellow and has green fluorescence.
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- ZD5710000
- ridadr
- UN 1230 3/PG 2
- HS 번호
- 29329990
- risk_code
- 11-23/24/25-39/23/24/25-40
- hazard_code
- F,T,Xi,Xn
- safety_code
- 7-16-24-45-24/25-36-22-36/37
- F 고인화성물질
- 8-10-23
- 위험 참고 사항
- Irritant
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
용도9-Hydroxyxanthene is an Intermediate in the preparation of Propantheline Bromide. It is useful in tests for urea also used in the protection of thiols as their S-xanthenyl (Xan) thioethers, by reaction in the presence of TFA.
일반 설명Xanthydrol is also known as 9H-xanthen-9-ol. Xanthydrol is a natural drug that has been used in traditional Chinese medicine for treating a variety of diseases. It is extracted from Rhizoma Gastrodiae and Angelicae Dahuricae. It has shown to be effective against various metabolic disorders, including insulin resistance, hyperlipidemia, and diabetes. The mechanism of action of Xanthydrol is not known but it is thought to be due to its ability to activate the immune system by transferring reactions and promoting the production of antibodies. It also shows anti-inflammatory effects by inhibiting the production of prostaglandins and leukotrienes. It can also inhibit angiotensin II, which may reduce high blood pressure and congestive heart failure.
제조 방법
synthesis of xanthydrol: The amalgam sodium in dry toluene was warmed to 50°C, the xanthone-ethanol suspension was added, and the temperature was rapidly raised to 60-70°C with vigorous stirring. After the reaction is completed, the mercury is separated. The reaction solution was filtered, the filtrate was poured into the stirred blue distilled water, the 9-hydroxyxanthene was filtered out, washed with water, and dried to obtain the finished product with a yield of 91-95%.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의9H-Xanthen-9-ol is a derivative of xanthene that is a natural product found in Xanthium spinosum and Xanthium strumarium.
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