기본 정보
- CAS
14496-24-3- 표준 SMILES
OCc1cocc1CO- InChIKey
RNKXUVJWMOMTHV-UHFFFAOYSA-N- 분자식
- C6H8O3
- 평균 분자량
- 128.13 g/mol
- 단동위원소 질량
- 128.04734411
이름 및 식별자
- 우선 이름
- Furan-3,4-diyldimethanol
- IUPAC
- [4-(hydroxymethyl)furan-3-yl]methanol
- 현지명
- 푸란-3,4-디일디메탄올
- 영어명
- furan-3,4-diyldimethanol
- 분자식
- C6H8O3
- 분자량
- 128.13
이름 및 동의어
3,4-Furandimethanol14496-24-3Furan-3,4-diyldimethanol3,4-Bis(hydroxymethyl)furanL8MK9B9DQVEINECS 238-505-5DTXSID50162849RefChem:607772DTXCID3085340238-505-5[4-(hydroxymethyl)furan-3-yl]methanol[4-(hydroxymethyl)-3-furyl]methanol
이름 더 보기
푸란-3,4-디일디메탄올Furan-3,4-dimethanol3,4-Furandiylbismethanol3,4-Bis(hydroxymethyl)furan 98%
UNII-L8MK9B9DQV(Furan-3,4-diyl)dimethanolSCHEMBL4651248PAA496243,4-Bis(hydroxymethyl)furan, 98%MFCD00044246AS-91868DB-105199
데이터베이스 식별자
- CAS
14496-24-3- PubChem CID
- 84477
- DTXSID
DTXSID50162849- UNII
- L8MK9B9DQV
- EC Number
- 238-505-5
- Nikkaji
- J236.721A
물성
구조 계산 물성
- XLogP
- -0.8
- 극성 표면적
- 53.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 74.4
물리화학적 성질
- 끓는 점
- 120 °C · 120 °C(Press: 1 Torr)
- 밀도
- 1.248 g/mL · 1.248 g/mL at 25 °C
- 인화점
- 110 ℃ · >110℃
- 산도 계수 (pKa)
- 13.88 · 13.88±0.10(Predicted)
- 물리적 상태
- liquid
- InChI
- InChI=1S/C6H8O3/c7-1-5-3-9-4-6(5)2-8/h3-4,7-8H,1-2H2
- InChIKey
- RNKXUVJWMOMTHV-UHFFFAOYSA-N
- SMILES
- O1C=C(CO)C(CO)=C1
화학적 성질
Furan-3,4-diyldimethanol is a colorless to pale yellow liquid at room temperature, with a density of 1.248 g/mL at 25℃, a boiling point of 120℃ at 1 Torr, a flash point of >110℃, and a predicted pKa of 13.88. It is extremely weakly acidic, and its molecule contains a furan ring and two hydroxymethyl groups. It is readily soluble in most organic solvents such as alcohols and ethers, miscible with water, and chemically stable. The hydroxyl groups can undergo esterification, etherification, oxidation, and other reactions. It is an important intermediate in the fields of organic synthesis, medicine, and functional materials.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesEye Dam. 1 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 26-39
- Hazard Classifications
- Eye Dam. 1
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도3,4-Furandimethanol has been used as a reactant in the preparation of N-[(benzimidazolyl)methyl]aminotetrahydroquinoline derivatives as CXCR4 antagonists that are potent inhibitors of T tropic (X4) HIV-1 replication.
공급사16 곳
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Aladdin Scientific[email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
常州康瑞医药科技有限公司+86-0519-85485169 +86-13961161173 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shaanxi Didu New Materials Co. Ltd
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