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크산티드롤

Xanthydrol

HCID 72861
새 노트새 반응견적 요청하기
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
90-46-0
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

9-HydroxyxantheneXanthydrol9H-Xanthen-9-ol90-46-0Xanthen-9-ol9-Xanthydrol7131M69IKFNSC-4038DTXSID8059009RefChem:902268DTXCID9048691201-996-1
이름 더 보기
크산티드롤잔티드롤9-히드록시크산텐Xanthene-9-OLXANTHYDROL(RG)Xanthydrol 98%
Xanthanol9-XanthenolXanthene, hydroxy-MFCD00005057CHEMBL5204890CCRIS 1640NSC 4038EINECS 201-996-1

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 물성보충 중

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

Chemical ClassesOther Classes -> Other Aromatic Compounds
SpringerMaterials PropertiesChemical shift
Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]

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

안전 및 규제

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

GHS 분류

GHS Classification · 4건

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

Regulatory InformationChemical: 9H-Xanthen-9-ol
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (50%)

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

General Manufacturing Information9H-Xanthen-9-ol: INACTIVE
응용 분야 · 2건

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 · 1건

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

Amalgam sodium크산톤NSC26684

관련 반응

27건
반응 기록 만들기
HRID 19461 반응식
HRID 19461반응물로uspto-grants-2010_06
HRID 258187 반응식
HRID 258187반응물로uspto-grants-1993_11
HRID 442792 반응식
HRID 442792반응물로uspto-grants-1999_04
HRID 442798 반응식
HRID 442798반응물로uspto-grants-1999_04
HRID 442806 반응식
HRID 442806반응물로uspto-grants-1999_04
HRID 726762 반응식
HRID 726762반응물로uspto-grants-1998_01
HRID 820997 반응식
HRID 820997반응물로Test data from https://doi.org/10.1039/C8SC04228D
HRID 1005332 반응식
HRID 1005332반응물로uspto-grants-2000_04
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화합물 노트

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더보기
새 노트새 반응견적 요청하기
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.

2-(2-bromophenoxy)benzaldehyde
페놀
9,9- 디메틸 -4,5- 비스 (디 페닐 포스 피노) 크 산텐
2-클로로벤조익산

하류 제품

N-Boc-N'-xanthyl-L-asparagineN-Boc-N'-(9-xanthenyl)-L-glutamine크산텐

추가 설명

정의9H-Xanthen-9-ol is a derivative of xanthene that is a natural product found in Xanthium spinosum and Xanthium strumarium.