6-히드록시플라본

6-Hydroxyflavone

HCID 72279CAS 6665-83-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=c1cc(-c2ccccc2)oc2ccc(O)cc12
InChIKey: GPZYYYGYCRFPBU-UHFFFAOYSA-N
분자식: C15H10O3
평균 분자량: 238.24 g/mol
단동위원소 질량: 238.06299418

이름 및 식별자

우선 이름: 6-Hydroxyflavone
IUPAC: 6-hydroxy-2-phenylchromen-4-one
현지명: 6-히드록시플라본
영어명: 6-Hydroxyflavone
분자식: C15H10O3
분자량: 238.24

이름 및 동의어

6-Hydroxyflavone6665-83-46-hydroxy-2-phenylchromen-4-one6-Hydroxy-2-phenyl-4-benzopyroneNSC-26744148S6Z78H6DTXSID8022327RefChem:543430DTXCID202327229-704-86-Hydroxy-2-phenyl-4H-chromen-4-one6-Monohydroxyflavone

이름 더 보기

6-히드록시플라본6-HF6-hydroxyoneHYDROXYFLAVONE, 6-TIMTEC-BB SBB0007666-Hydroxyflavone>6-Hydroxyflavone 98%6-Hydroxyflavone,98%6-Hydroxyflavone,97%

6-Hydroxy-2-phenyl-chromen-4-oneMLS0007380654H-1-Benzopyran-4-one, 6-hydroxy-2-phenyl-MFCD00017329CHEMBL138649NSC26744EINECS 229-704-8NSC 26744

데이터베이스 식별자

CAS: 6665-83-4
PubChem CID: 72279
DTXSID: DTXSID8022327
ChEMBL: CHEMBL138649
ChEBI: CHEBI:34472
UNII: 148S6Z78H6
EC Number: 229-704-8
Nikkaji: J298.052E

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 355

물리화학적 성질

녹는점: 234 · 234-236 °C (lit.)
끓는 점: 320.83 °C · 320.83°C (rough estimate)
밀도: 1.2653 · 1.2653 (rough estimate)
굴절률: 1.574 · 1.5740 (estimate)
산도 계수 (pKa): 8.98 · 8.98±0.40(Predicted)
물리적 상태: powder to crystal
색상: Light yellow to Yellow to Green
BRN: 15827 · 15827
InChI: 1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H
InChIKey: GPZYYYGYCRFPBU-UHFFFAOYSA-N
SMILES: Oc1ccc2OC(=CC(=O)c2c1)c3ccccc3
LogP: 4.445 · 4.445 (est)

화학적 성질

light yellow crystals

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

안전 데이터

wgk: 3
HS 번호: 2932.99.7000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Metabolism/Metabolites6-Hydroxyflavone has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(4-oxo-2-phenylchromen-6-yl)oxyoxane-2-carboxylic acid.