2,6-Bis(trifluoromethyl)benzaldehyde

HCID 11276545
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Basic information

CAS
118762-55-3
Standard SMILES
O=Cc1c(C(F)(F)F)cccc1C(F)(F)F
InChIKey
RHHRPFMCPJVSQZ-UHFFFAOYSA-N
Molecular formula
C9H4F6O
Average molar mass
242.12 g/mol
Monoisotopic mass
242.01663407

Names & identifiers

Preferred name
2,6-Bis(trifluoromethyl)benzaldehyde
IUPAC
2,6-bis(trifluoromethyl)benzaldehyde
English name
Benzaldehyde, 2,6-bis(trifluoroMethyl)-
Molecular formula
C9H4F6O
Molecular weight
242.12

Names & synonyms

2,6-bis(trifluoromethyl)benzaldehyde118762-55-3DTXSID20460945RefChem:248065DTXCID10411764Benzaldehyde, 2,6-bis(trifluoromethyl)-SCHEMBL989191SCHEMBL16401808SCHEMBL28105902MFCD12025037G72225

Database identifiers

CAS
118762-55-3
PubChem CID
11276545
DTXSID
DTXSID20460945

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
16

Physicochemical properties

Boiling point
190.7 · 190.7±40.0 °C(Predicted)
Density
1.44 · 1.440±0.06 g/cm3(Predicted)

Chemistry & industry

Suppliers7 total

武汉誉祥医药科技有限公司13971275651
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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CAS 118762-55-3 2,6-Bis(trifluoromethyl)benzaldehyde (HCID 11276545)｜Huagongshe