Furan-3,4-diyldimethanol
Basic information
- CAS
14496-24-3- Standard SMILES
OCc1cocc1CO- InChIKey
RNKXUVJWMOMTHV-UHFFFAOYSA-N- Molecular formula
- C6H8O3
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.04734411
Names & identifiers
- Preferred name
- Furan-3,4-diyldimethanol
- IUPAC
- [4-(hydroxymethyl)furan-3-yl]methanol
- English name
- furan-3,4-diyldimethanol
- Molecular formula
- C6H8O3
- Molecular weight
- 128.13
Names & synonyms
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
Show more names
Furan-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
Database identifiers
- CAS
14496-24-3- PubChem CID
- 84477
- DTXSID
DTXSID50162849- UNII
- L8MK9B9DQV
- EC Number
- 238-505-5
- Nikkaji
- J236.721A
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 74.4
Physicochemical properties
- Boiling point
- 120 °C · 120 °C(Press: 1 Torr)
- Density
- 1.248 g/mL · 1.248 g/mL at 25 °C
- Flash point
- 110 ℃ · >110℃
- pka
- 13.88 · 13.88±0.10(Predicted)
- form
- 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
- FDA UNII
- 8 MK9B9DQV · L8MK9B9DQV
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- wgk
- 3
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H318
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses3,4-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.
Suppliers
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Related reactions
2 records
Compound notes
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