푸로인

Furoin

HCID 11100CAS 552-86-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(c1ccco1)C(O)c1ccco1
InChIKey: MIJRFWVFNKQQDK-UHFFFAOYSA-N
분자식: C10H8O4
평균 분자량: 192.17 g/mol
단동위원소 질량: 192.04225873

이름 및 식별자

우선 이름: Furoin
IUPAC: 1,2-bis(furan-2-yl)-2-hydroxyethanone
현지명: 푸로인
영어명: 2,2'-Furoin
분자식: C10H8O4
분자량: 192.17

이름 및 동의어

FUROIN552-86-32,2'-FuroinEthanone, 1,2-di-2-furanyl-2-hydroxy-Furoylfurylcarbinolalpha-Furoin.alpha.-FuroinEthanone, 1,2-di-2-furyl-2-hydroxy-EINECS 209-024-81,2-Di-2-furanyl-2-hydroxyethanoneHSDB 2115UNII-FP41RNB020

이름 더 보기

푸로인퓨로인2,2'-푸로인1,2-di(furan-2-yl)-2-hydroxyethan-1-oneFuroin>a,a-FuroinFuroin,98%Furoin 98%alpha-furoi

1,2-Di(2-furyl)-2-hydroxyethanoneNSC 18522Ketone, 2-furyl alpha-hydroxyfurfurylBRN 0383995FP41RNB020Ketone, 2-furyl .alpha.-hydroxyfurfurylAI3-02545FUROIN [HSDB]

데이터베이스 식별자

CAS: 552-86-3
PubChem CID: 11100
DTXSID: DTXSID60862181
ChEMBL: CHEMBL364893
UNII: FP41RNB020
EC Number: 209-024-8
Nikkaji: J6.723G

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 216

실험 및 물리화학적 성질

Color/FormNEEDLES FROM ALCOHOL

SolubilitySLIGHTLY SOL IN HOT WATER, ALCOHOL; SOL IN ETHER, METHANOL, HOT ALCOHOL

Melting Point138-39 °C

Vapor Pressure0.0000249 [mmHg]

Physical DescriptionSolid; [HSDB] Brown powder; [MSDSonline]

Kovats Retention Index1449

물리화학적 성질

녹는점: 134 · 134-137 °C(lit.)
끓는 점: 248.14 °C · 248.14°C (rough estimate)
밀도: 1.0825 · 1.0825 (rough estimate)
굴절률: 1.444 · 1.4440 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 0.25 g/10mL, · 아세톤: 용해성0.25g/10mL, 투명, 무색~진한 갈색-노란색
물리적 상태: powder to crystal
산도 계수 (pKa): 11.62 · 11.62±0.20(Predicted)
색상: White to Light yellow to Light orange
BRN: 383995 · 383995
InChI: InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H
InChIKey: MIJRFWVFNKQQDK-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=CO1)C(C1=CC=CO1)O
NIST: 1 · Ethanone, 1,2-di-2-furanyl-2-hydroxy-(552-86-3)
EPA: 1 · Ethanone, 1,2-di-2-furanyl-2-hydroxy- (552-86-3)

화학적 성질

LIGHT YELLOW TO LIGHT BROWN AMORPHOUS POWDER

안전 및 규제

유해성 정보

Hazards SummaryMay cause irritation; [MSDSonline]

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: KM5774095
HS 번호: 29329990
스토리지 클래스: 11 - Combustible Solids
유해 물질 데이터: 552-86-3(Hazardous Substances Data)

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanone, 1,2-di-2-furanyl-2-hydroxy-: INACTIVE

응용 분야

용도Furoin was used as fluorogenic reagent for the selective and sensitive liquid chromatographic determination of various guanidines.

제조 방법 · 1건

2,2'-Furoin is prepared by the condensation of furfural with benzoin under the catalysis of potassium cyanide. 8L of water, 3L of ethanol, and 4kg of furfural were heated to 60-70°C on a water bath, and a solution of 200g potassium cyanide dissolved in 600Chemicalbookml of water was slowly added under stirring. The reaction exotherm automatically heated up to 80-90 ° C, and crystals were precipitated later. After standing, filter, wash the crystals with water and methanol until the washing is colorless, and recrystallize with ethanol, which is the finished product of bran coupler.