Basic information
- CAS
802-93-7- Standard SMILES
OC(c1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F- InChIKey
PGUIOHNOYADLMU-UHFFFAOYSA-N- Molecular formula
- C12H6F12O2
- Average molar mass
- 410.15 g/mol
- Monoisotopic mass
- 410.0176174
Names & identifiers
- Preferred name
- alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol
- IUPAC
- 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
- English name
- 1,3-Bis(2-hydroxyhexafluoroisopropyl)benzene
- Molecular formula
- C12H6F12O2
- Molecular weight
- 410.16
Names & synonyms
802-93-7DTXSID708835841,3-Benzenedimethanol, alpha1,alpha1,alpha3,alpha3-tetrakis(trifluoromethyl)-RefChem:1076572DTXCID601023099alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol1,3-Bis(2-hydroxyhexafluoroisopropyl)benzene1,3-Bis(hexafluoro-alpha-hydroxyisopropyl)benzene1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol1,3-Benzenedimethanol, alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-MFCD000420901,3-Bis(hexafluoro-2-hydroxyisopropyl)benzene
Show more names
1,3 HFAB1,3-isomer1,3-Bis(Hexaflu1,3-Bis(hexafluoro-αC14:0 Dimyristin 1-3 Isomer6,11-dihydro-5H-naphtho[2,1-a]carbazole2,2'-m-phenylenebis(perfluoropropan-2-ol)1,3-Bis(α-hydroxyhexafluoroisopropyl)benzene1,3-Bis(hexafluoro-α-hydroxyisopropyl)benzene
1,3-Bis(hexafluoro-|A-hydroxyisopropyl)benzene1,3-Benzenedimethanol, .alpha.,.alpha.,.alpha.',.alpha.'-tetrakis(trifluoromethyl)-1,3-Bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropyl)benzene2,2'-(1,3-Phenylene)bis(1,1,1,3,3,3-hexafluoropropan-2-ol)2,2'-(Benzene-1,3-diyl)bis(1,1,1,3,3,3-hexafluoropropan-2-ol)1,3-Bis(alpha-hydroxyhexafluoroisopropyl)benzenealpha,alpha,alpha',alpha'-Tetrakis(trifluoromethyl)-1,3-benzenedimethanolNSC96341
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 428
Experimental & physicochemical properties
PFASPFAS -> Other/unspecified
Physicochemical properties
- Melting point
- 9 · 9-10°C
- Boiling point
- 209 °C · 209 °C(lit.)
- Density
- 1.659 g/mL · 1.659 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.387(lit.)
- Flash point
- 207 °F · 207 °F
- solubility
- Difficult to mix.
- pka
- 8.61 · 8.61±0.15(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 1.659 · 1.659
- BRN
- 2024879 · 2024879
- InChI
- InChI=1S/C12H6F12O2/c13-9(14,15)7(25,10(16,17)18)5-2-1-3-6(4-5)8(26,11(19,20)21)12(22,23)24/h1-4,25-26H
- InChIKey
- PGUIOHNOYADLMU-UHFFFAOYSA-N
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
H314 (16.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, 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 CategoriesSkin Corr. 1B (16.7%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- 212-354-5
- ridadr
- 3265
- hs_code
- 29062990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 37/39-26
- hazard_class
- IRRITANT, CORROSIVE
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenedimethanol, .alpha.1,.alpha.1,.alpha.3,.alpha.3-tetrakis(trifluoromethyl)-: INACTIVE
Applications
Uses1,3-Bis(2-hydroxyhexafluoroisopropyl)benzene is used to determine the specific details of electrical magnitudes.
Suppliers54 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海大然化学有限公司021-64478606 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司
Related reactions
3 records
Compound notes
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