Basic information
- CAS
425-61-6- Standard SMILES
OCC(F)(F)C(F)(F)CO- InChIKey
CDZXJJOGDCLNKX-UHFFFAOYSA-N- Molecular formula
- C4H6F4O2
- Average molar mass
- 162.08 g/mol
- Monoisotopic mass
- 162.03039231
Names & identifiers
- Preferred name
- 2,2,3,3-Tetrafluoro-1,4-butanediol
- IUPAC
- 2,2,3,3-tetrafluorobutane-1,4-diol
- English name
- 2,2,3,3-Tetrafluoro-1,4-butanediol
- Molecular formula
- C4H6F4O2
- Molecular weight
- 162.08
Names & synonyms
2,2,3,3-Tetrafluoro-1,4-butanediol425-61-62,2,3,3-tetrafluorobutane-1,4-diolNSC 95113DTXSID80195281RefChem:440625DTXCID90117772670-431-2MFCD00042375C4H6F4O21,4-Dihydroxy-2,2,3,3-tetrafluorobutaneNSC95113
Show more names
TFBOTetrafluorobutanediolTetrafluoro-1,4-butanediol2,2,3,3-Tetrafluorobutanediol1,4-Butanediol, 2,2,3,3-tetrafluoro-2,2,3,3-Tetrafluorobutane-1,4-diol97%2,2,3,3-Tetrafluoro-1,4-butanediol,98%
NCIOpen2_0015181h,1h,4h,4h-perfluoro-1,4-butanediolSCHEMBL371473AT23336FS-4253T2296EN300-253954F8889-9295
Database identifiers
- CAS
425-61-6- PubChem CID
- 136270
- DTXSID
DTXSID80195281- EC Number
- 670-431-2
- Nikkaji
- J1.334.487F
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.8
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Alcohols
Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 77 · 77-82 °C(lit.)
- Boiling point
- 110 · 110-112 °C13 mm Hg(lit.)
- Density
- 1.3091 · 1.3091 (estimate)
- Flash point
- 110 · 110-112°C/13mm
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 12.83 · 12.83±0.10(Predicted)
- color
- White to Almost white
- Water Solubility
- Soluble in water.
- BRN
- 1745847 · 1745847
- InChI
- InChI=1S/C4H6F4O2/c5-3(6,1-9)4(7,8)2-10/h9-10H,1-2H2
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See 2,2,3,3,4,4,4-Heptafluoro-1-butanol.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- ridadr
- 3276
- hs_code
- 2905.39.9000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Harmful
- safety_code
- 37/39-26
- hazard_class
- IRRITANT, IRRITANT-HARMFUL
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
Chemistry & industry
Applications
Uses2,2,3,3-Tetrafluoro-1,4-butanediol is a reactant used for the enzymic synthesis of silicone fluorinated aliphatic polyester amides.
Upstream & downstream products
Downstream products
Suppliers100 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co
Related reactions
4 records
Compound notes
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