3-Bromo-2-isopropoxy-5-(trifluoromethyl)pyridine

HCID 21584472
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Basic information

CAS
216766-04-0
Standard SMILES
CC(C)Oc1ncc(C(F)(F)F)cc1Br
InChIKey
BHHAXQRZFPLLCW-UHFFFAOYSA-N
Molecular formula
C9H9BrF3NO
Average molar mass
284.07 g/mol
Monoisotopic mass
282.98196

Names & identifiers

Preferred name
3-Bromo-2-isopropoxy-5-(trifluoromethyl)pyridine
IUPAC
3-bromo-2-propan-2-yloxy-5-(trifluoromethyl)pyridine
English name
3-bromo-2-isopropoxy-5-(trifluoromethyl)pyridine
Molecular formula
C9H9BrF3NO
Molecular weight
284.07

Names & synonyms

3-Bromo-2-isopropoxy-5-(trifluoromethyl)pyridine216766-04-0MFCD267436343-bromo-2-propan-2-yloxy-5-(trifluoromethyl)pyridineSCHEMBL7909807DTXSID20616122DA-08160F760283-Bromo-2-(2propyl)oxy-5-trifluoromethylpyridineF8693843-bromo-2-(2-propyl)oxy-5-trifluoromethylpyridine3-Bromo-2-[(propan-2-yl)oxy]-5-(trifluoromethyl)pyridine
Show more names
Pyridine, 3-bromo-2-(1-methylethoxy)-5-(trifluoromethyl)-

Database identifiers

CAS
216766-04-0
PubChem CID
21584472
DTXSID
DTXSID20616122

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Boiling point
230.9 · 230.9±40.0 °C(Predicted)
Density
1.497 · 1.497±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
-0.56 · -0.56±0.32(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Suppliers8 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安徽合诺生物科技有限公司18455579438

Related reactions

2 records
New reaction record

Compound notes

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