1-(2,4-디히드록시-페닐)-2-(4-히드록시-페닐)-에타논

2,4,4'-Trihydroxydeoxybenzoin

HCID 640096CAS 17720-60-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(Cc1ccc(O)cc1)c1ccc(O)cc1O
InChIKey: KLFCJXAPIFIIFR-UHFFFAOYSA-N
분자식: C14H12O4
평균 분자량: 244.24 g/mol
단동위원소 질량: 244.07355886

개요

structure in first source

이름 및 식별자

우선 이름: 2,4,4'-Trihydroxydeoxybenzoin
IUPAC: 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone
현지명: 1-(2,4-디히드록시-페닐)-2-(4-히드록시-페닐)-에타논
영어명: 1-(2,4-DIHYDROXY-PHENYL)-2-(4-HYDROXY-PHENYL)-ETHANONE
분자식: C14H12O4
분자량: 244.24

이름 및 동의어

RefChem:9086772,4,4'-Trihydroxydeoxybenzoin17720-60-41-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanoneMFCD004981621-(2,4-Dihydroxy-phenyl)-2-(4-hydroxy-phenyl)-ethanone1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethan-1-one423150-69-0ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-CHEMBL1932001-(2,4-DIHYDROXY-PHENYL)2 (4-HYDRO XY-PHENYL)-ETHANONEOprea1_494118

이름 더 보기

1-(2,4-디히드록시-페닐)-2-(4-히드록시-페닐)-에타논2',4'-DihyOTAVA-BB BB7020210418Ipriflavone Impurity 132,4-Dihydroxyphenyl 4'-hydroxybenzyl ketone1-(2,4-DIHYDROXY-PHENYL)-2-(4-HYDROXY-PHENYL)-ETH2',4'-Dihydroxy-2-(4-hydroxyphenyl)acetophenone,97%Ethanone,1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-(2,4-Dihydroxyphenyl)-2-2-(4-hydroxyphenyl)ethanone

SCHEMBL3122431-(2,4-Dihydroxy-Phenyl)2 (4-hydroxy-phenyl)-Ethanone2,4,4'-TrihydroxydesoxybenzoinSCHEMBL305030142,4,4''-Trihydroxydeoxybenzoin2,4,4''-terthydroxydeoxybenzoinDTXSID00348696KLFCJXAPIFIIFR-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 17720-60-4
PubChem CID: 640096
DTXSID: DTXSID00348696
ChEMBL: CHEMBL193200
EC Number: 685-504-4
Nikkaji: J1.272.361J

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 77.8 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 284

실험 및 물리화학적 성질

LogP2.54

물리화학적 성질

녹는점: 192 °C · 192 °C
끓는 점: 499 · 499.0±14.0 °C(Predicted)
밀도: 1.38 · 1.380
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 7.62 · 7.62±0.35(Predicted)
InChI: InChI=1S/C14H12O4/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,15-16,18H,7H2
InChIKey: KLFCJXAPIFIIFR-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(O)C=C1O)CC1=CC=C(O)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (90.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (90.9%)

안전 데이터

risk_code: 43
hazard_code: Xi
safety_code: 36/37

화학 및 산업

제조 방법

Preparation by reaction of p-hydroxyphenylacetic acid with resorcinol in the presence of boron trifluoride etherate under argon on a water bath for 1 h (98%), at 100° for 1 h (70%) or for 15 min (40%).

상·하류 제품 정보

상류 원료

공급사31 곳

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

济南深丽康化工科技有限公司0531-86092839 15318817273 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

연결된 노트

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