CAS
18873-95-5 Purity
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18873-95-5 Purity
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2-Bromo-6-(trifluoromethyl)pyridine
CAS
189278-27-1
Catalog Number
ACM189278271
Category
Bromine Series
Molecular Weight
225.99
Molecular Formula
C6H3NBrF3
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Specification
Synonyms
2-Bromo-6-(trifluoromethyl)pyridine, 189278-27-1, 2-Bromo-6-trifluoromethylpyridine, 2-bromo-6-trifluoromethyl-pyridine, 6-bromo-2-(trifluoromethyl)pyridine, SBB054360, AG-E-38175, Pyridine, 2-bromo-6-(trifluoromethyl)-, ZINC02526214, PubChem9307, ACMC-209esf, AC1MD3AV, KSC495O4T, 661147_ALDRICH, CTK3J5749, MolPort-000-146-710, 2-Bromo-6-trifluoromethylpyridine;, ACT01354, ANW-23437, WT2015
IUPAC Name
2-bromo-6-(trifluoromethyl)pyridine
Canonical SMILES
C1=CC(=NC(=C1)Br)C(F)(F)F
InChI Key
DOWNSQADAFSSAR-UHFFFAOYSA-N
Boiling Point
78-79ºC 14mm
Melting Point
49-50ºC
Flash Point
57ºC
Density
1.707g/cm³
Appearance
beige moist crystals
Exact Mass
224.94000
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
4
H-Bond Donor
0
Safety Description
S22-S26-S36/37/39
WGK Germany
3
What is the molecular formula of 2-Bromo-6-(trifluoromethyl)pyridine?
The molecular formula is C6H3BrF3N.
When was the PubChem CID for 2-Bromo-6-(trifluoromethyl)pyridine created and last modified?
The CID was created on 2005-07-19 and last modified on 2023-12-02.
What is the IUPAC name of 2-Bromo-6-(trifluoromethyl)pyridine?
The IUPAC name is 2-bromo-6-(trifluoromethyl)pyridine.
What is the InChIKey of 2-Bromo-6-(trifluoromethyl)pyridine?
The InChIKey is DOWNSQADAFSSAR-UHFFFAOYSA-N.
What is the Canonical SMILES representation of 2-Bromo-6-(trifluoromethyl)pyridine?
The Canonical SMILES is C1=CC(=NC(=C1)Br)C(F)(F)F.
What is the molecular weight of 2-Bromo-6-(trifluoromethyl)pyridine?
The molecular weight is 225.99 g/mol.
How many hydrogen bond acceptors are there in 2-Bromo-6-(trifluoromethyl)pyridine?
There are four hydrogen bond acceptors in the compound.
What is the topological polar surface area of 2-Bromo-6-(trifluoromethyl)pyridine?
The topological polar surface area is 12.9Ų.
How many defined atom stereocenters are present in 2-Bromo-6-(trifluoromethyl)pyridine?
There are zero defined atom stereocenters in the compound.
Is 2-Bromo-6-(trifluoromethyl)pyridine a canonicalized compound?
Yes, the compound is canonicalized according to PubChem.
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