Basic information
- CAS
355-74-8- Standard SMILES
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CO- InChIKey
NHEKBXPLFJSSBZ-UHFFFAOYSA-N- Molecular formula
- C6H6F8O2
- Average molar mass
- 262.1 g/mol
- Monoisotopic mass
- 262.02400519
Names & identifiers
- Preferred name
- 2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol
- IUPAC
- 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diol
- English name
- 2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol
- Molecular formula
- C6H6F8O2
- Molecular weight
- 262.1
Names & synonyms
2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol2,2,3,3,4,4,5,5-octafluorohexane-1,6-diolNHEKBXPLFJSSBZ-UHFFFAOYSA-RefChem:440609670-345-5InChI=1/C6H6F8O2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h15-16H,1-2H2355-74-81,6-Dihydroxy-2,2,3,3,4,4,5,5-octafluorohexane1,6-Hexanediol, 2,2,3,3,4,4,5,5-octafluoro-1h,1h,6h,6h-perfluoro-1,6-hexanediolMFCD00069087C6H6F8O2
Show more names
Octafluoro-1,6-hexanediol1H,1H,6H,6H-OCTAFLUOROHEXANE-1,6-DIOL2,2,3,3,4,4,5,5-octafluoro-1,6-hexyldiol(1E)-1-[(E)-3-phenylprop-2-enylidene]indene
DTXSID60188999BP-21497BS-22777SY0501832,2,3,3,4,4,5,5-octafluorohexan-1,6-diol1H,1H,6H,6H-Perfluorohexane-1,6-diolFT-0609067A822878
Database identifiers
- CAS
355-74-8- PubChem CID
- 136181
- DTXSID
DTXSID60188999
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Melting point
- 66 · 66-70 °C(lit.)
- Boiling point
- 100 °C3 · 100 °C3 mm Hg(lit.)
- Density
- 1.4712 · 1.4712 (estimate)
- Flash point
- 100 °C/3mm · 100°C/3mm
- pka
- 12.62 · 12.62±0.10(Predicted)
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- Water Solubility
- Soluble in water.
- BRN
- 1784039 · 1784039
- Stability
- Stable. Incompatible with strong bases, strong oxidizing agents.
- InChI
- InChI=1S/C6H6F8O2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h15-16H,1-2H2
- InChIKey
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
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29055900
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 22-24/25-37-26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Applications
Uses2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol is used as a pharmaceutical intermediate.
Suppliers82 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [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]
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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
Related reactions
12 records
Compound notes
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