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1,4-Bis(tert-butoxy)tetrafluorobenzene

HCID 2736007
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
121088-09-3
Standard SMILES
CC(C)(C)Oc1c(F)c(F)c(OC(C)(C)C)c(F)c1F
InChIKey
MPMWFMRRLDGGDN-UHFFFAOYSA-N
Molecular formula
C14H18F4O2
Average molar mass
294.28 g/mol
Monoisotopic mass
294.12429246

Names & identifiers

Preferred name
1,4-Bis(tert-butoxy)tetrafluorobenzene
IUPAC
1,2,4,5-tetrafluoro-3,6-bis[(2-methylpropan-2-yl)oxy]benzene
English name
1,4-Bis(tert-butoxy)tetrafluorobenzene
Molecular formula
C14H18F4O2
Molecular weight
294.29

Names & synonyms

121088-09-31,4-Bis(tert-butoxy)tetrafluorobenzene1,2,4,5-tetrafluoro-3,6-bis[(2-methylpropan-2-yl)oxy]benzene1,4-Bis(t-butoxy)tetrafluorobenzeneMFCD000691071,4-Di-tert-butoxy-2,3,5,6-tetrafluorobenzene1,4-bis(tert-butoxy)-2,3,5,6-tetrafluorobenzeneSCHEMBL4344192DTXSID90371079C14H18F4O2AKOS007930699DB-041601
Show more names
tetrafluoro-1,4-di-butoxybenzeneF01225M 1,4-Bis(butoxy)tetrafluobenzene1,4-BIS(TERT-BUTOXY)TETRAFLUOROBENZENE 90%Benzene, 1,4-bis(1,1-dimethylethoxy)-2,3,5,6-tetrafluoro-
CS-04421041,4-Bis(tert-butoxy)tetra-fluorobenzene, tech.1,4-ditert-butoxy-2,3,5,6-tetrafluoro-benzene1,4-Bis(1,1-Dimethylethoxy)-2,3,5,6-Tetrafluoro-Benzene

Database identifiers

CAS
121088-09-3
PubChem CID
2736007
DTXSID
DTXSID90371079
Nikkaji
J1.763.464J

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
276

Physicochemical properties

Melting point
55 · 55-56°C
Boiling point
275.218 · 275.218±35.00 °C(Press: 760.00 Torr)(predicted)
Density
1.161 · 1.161±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
CAS DataBase Reference
121088 · 121088-09-3(CAS DataBase Reference)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36
HazardClass
IRRITANT
HS Code
2909309090 · 2909309090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2909309090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers15 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
中科双航化学(大连)有限公司+86-411-66858498 13941194417 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
广东胜克生化科技股份有限公司18925113981 18925113981 · [email protected]